4-Chlorobenzamide, N-(hept-2-yl)-
Basic information
- CAS
105357-78-6- Standard SMILES
CCCCCC(C)NC(=O)c1ccc(Cl)cc1- InChIKey
XGSOMTIEQVSWBQ-UHFFFAOYSA-N- Molecular formula
- C14H20ClNO
- Average molar mass
- 253.77 g/mol
- Monoisotopic mass
- 253.123342
Names & identifiers
- Preferred name
- 4-Chlorobenzamide, N-(hept-2-yl)-
- IUPAC
- 4-chloro-N-heptan-2-ylbenzamide
- English name
- Benzamide, 4-chloro-N-(1-methylhexyl)-
- Molecular formula
- C14H20ClNO
- Molecular weight
- 253.77
Names & synonyms
XGSOMTIEQVSWBQ-UHFFFAOYSA-N4-Chlorobenzamide, N-(hept-2-yl)-AKOS0038639804-CHLORO-N-(1-METHYL-HEXYL)-BENZAMIDEBenzamide, 4-chloro-N-(1-methylhexyl)-
Database identifiers
- CAS
105357-78-6- PubChem CID
- 3667697
- EC Number
- 150-775-5
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 224
Physicochemical properties
- Boiling point
- 381.9 · 381.9±25.0 °C(Predicted)
- Density
- 1.052 · 1.052±0.06 g/cm3(Predicted)
- pka
- 14.3 · 14.30±0.46(Predicted)
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