N-(azepan-4-yl)-5-chloro-2-hydroxy-N-methylbenzamide

C14H19ClN2O2 — CID 107172538

IUPACN-(azepan-4-yl)-5-chloro-2-hydroxy-N-methylbenzamide
SMILESCN(C(=O)c1cc(Cl)ccc1O)C1CCCNCC1
InChIInChI=1S/C14H19ClN2O2/c1-17(11-3-2-7-16-8-6-11)14(19)12-9-10(15)4-5-13(12)18/h4-5,9,11,16,18H,2-3,6-8H2,1H3
InChIKeyCCZDAKRRNJECJN-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.26
Rot. Bonds2

About N-(azepan-4-yl)-5-chloro-2-hydroxy-N-methylbenzamide

N-(azepan-4-yl)-5-chloro-2-hydroxy-N-methylbenzamide (PubChem CID 107172538) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is N-(azepan-4-yl)-5-chloro-2-hydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(azepan-4-yl)-5-chloro-2-hydroxy-N-methylbenzamide
PubChem CID107172538
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC NameN-(azepan-4-yl)-5-chloro-2-hydroxy-N-methylbenzamide
SMILESCN(C(=O)c1cc(Cl)ccc1O)C1CCCNCC1
InChIInChI=1S/C14H19ClN2O2/c1-17(11-3-2-7-16-8-6-11)14(19)12-9-10(15)4-5-13(12)18/h4-5,9,11,16,18H,2-3,6-8H2,1H3
InChIKeyCCZDAKRRNJECJN-UHFFFAOYSA-N
XLogP2.26
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119444290
N-(azepan-4-yl)-2-chloro-N-methylbenzamide
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N-(azepan-4-yl)-3,4-dihydroxy-N-methylbenzamide
CID 107728861
N-(azepan-4-yl)-2,3-dihydroxy-N-methylbenzamide
CID 107172531
5-chloro-N-cyclobutyl-2-fluoro-N-methylbenzamide
CID 115649144
5-chloro-N-methyl-2-nitro-N-piperidin-4-ylbenzamide
CID 43602217
5-chloro-2-hydroxy-N-piperidin-3-yl-N-propylbenzamide
CID 63636752
2-hydroxy-5-iodo-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 107732093
N-(azepan-4-yl)-3-chloro-4-iodo-N-methylbenzamide
CID 104974458
N-(azepan-4-yl)-4-bromo-N,2-dimethylbenzamide
CID 104974736
2-chloro-4,5-difluoro-N-methyl-N-piperidin-4-ylbenzamide
CID 119443353
2-amino-5-chloro-N-cyclohexyl-N-methylbenzamide
CID 16781756

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-5-chloro-2-hydroxy-N-methylbenzamide?
The IUPAC name of N-(azepan-4-yl)-5-chloro-2-hydroxy-N-methylbenzamide (CID 107172538) is N-(azepan-4-yl)-5-chloro-2-hydroxy-N-methylbenzamide.
What is the SMILES notation for N-(azepan-4-yl)-5-chloro-2-hydroxy-N-methylbenzamide?
The canonical SMILES for N-(azepan-4-yl)-5-chloro-2-hydroxy-N-methylbenzamide is CN(C(=O)c1cc(Cl)ccc1O)C1CCCNCC1.
What is the InChIKey of N-(azepan-4-yl)-5-chloro-2-hydroxy-N-methylbenzamide?
The InChIKey is CCZDAKRRNJECJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-17(11-3-2-7-16-8-6-11)14(19)12-9-10(15)4-5-13(12)18/h4-5,9,11,16,18H,2-3,6-8H2,1H3.
What are the key properties of N-(azepan-4-yl)-5-chloro-2-hydroxy-N-methylbenzamide?
N-(azepan-4-yl)-5-chloro-2-hydroxy-N-methylbenzamide has a molecular weight of 282.77 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-5-chloro-2-hydroxy-N-methylbenzamide is sourced from PubChem (CID 107172538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).