N-(2-chlorophenyl)-4-hydroxy-4-methylazepane-1-carboxamide

C14H19ClN2O2 — CID 107406894

IUPACN-(2-chlorophenyl)-4-hydroxy-4-methylazepane-1-carboxamide
SMILESCC1(O)CCCN(C(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C14H19ClN2O2/c1-14(19)7-4-9-17(10-8-14)13(18)16-12-6-3-2-5-11(12)15/h2-3,5-6,19H,4,7-10H2,1H3,(H,16,18)
InChIKeyPPHBGHGPGHREOZ-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.11
Rot. Bonds1

About N-(2-chlorophenyl)-4-hydroxy-4-methylazepane-1-carboxamide

N-(2-chlorophenyl)-4-hydroxy-4-methylazepane-1-carboxamide (PubChem CID 107406894) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-hydroxy-4-methylazepane-1-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-hydroxy-4-methylazepane-1-carboxamide
PubChem CID107406894
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC NameN-(2-chlorophenyl)-4-hydroxy-4-methylazepane-1-carboxamide
SMILESCC1(O)CCCN(C(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C14H19ClN2O2/c1-14(19)7-4-9-17(10-8-14)13(18)16-12-6-3-2-5-11(12)15/h2-3,5-6,19H,4,7-10H2,1H3,(H,16,18)
InChIKeyPPHBGHGPGHREOZ-UHFFFAOYSA-N
XLogP3.11
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chlorophenyl)-6-azaspiro[2.5]octane-6-carboxamide
CID 97374347
(2-chlorophenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406239
(4R)-4-hydroxy-4-methyl-N-(2-phenylmethoxyphenyl)azepane-1-carboxamide
CID 125166380
N-(4-acetylphenyl)-4-hydroxy-4-methylazepane-1-carboxamide
CID 107406879
2-chloro-6-(piperidine-1-carbonylamino)benzoic acid
CID 63722614
(3S)-N-(2-chlorophenyl)-3-(methylamino)pyrrolidine-1-carboxamide
CID 172646373
3-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]-5-methyl-1H-pyrrole-2-carboxylic acid
CID 107405748
(3R,5R)-N-(2-chlorophenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 40638803
N-(3-chloro-4-methylphenyl)-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 80703460
N-(3-chlorophenyl)-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 23071915
ethyl (3S)-3-benzyl-1-[(2-chlorophenyl)carbamoyl]piperidine-3-carboxylate
CID 26411375
N-(2-methylphenyl)azepane-1-carboxamide
CID 19165583

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-hydroxy-4-methylazepane-1-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-4-hydroxy-4-methylazepane-1-carboxamide (CID 107406894) is N-(2-chlorophenyl)-4-hydroxy-4-methylazepane-1-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-hydroxy-4-methylazepane-1-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-4-hydroxy-4-methylazepane-1-carboxamide is CC1(O)CCCN(C(=O)Nc2ccccc2Cl)CC1.
What is the InChIKey of N-(2-chlorophenyl)-4-hydroxy-4-methylazepane-1-carboxamide?
The InChIKey is PPHBGHGPGHREOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-14(19)7-4-9-17(10-8-14)13(18)16-12-6-3-2-5-11(12)15/h2-3,5-6,19H,4,7-10H2,1H3,(H,16,18).
What are the key properties of N-(2-chlorophenyl)-4-hydroxy-4-methylazepane-1-carboxamide?
N-(2-chlorophenyl)-4-hydroxy-4-methylazepane-1-carboxamide has a molecular weight of 282.77 g/mol, XLogP of 3.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-hydroxy-4-methylazepane-1-carboxamide is sourced from PubChem (CID 107406894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).