(3R)-N-(3-chlorophenyl)-7-oxo-1-pentan-2-ylazepane-3-carboxamide

C18H25ClN2O2 — CID 163686162

IUPAC(3R)-N-(3-chlorophenyl)-7-oxo-1-pentan-2-ylazepane-3-carboxamide
SMILESCCCC(C)N1C[C@H](C(=O)Nc2cccc(Cl)c2)CCCC1=O
InChIInChI=1S/C18H25ClN2O2/c1-3-6-13(2)21-12-14(7-4-10-17(21)22)18(23)20-16-9-5-8-15(19)11-16/h5,8-9,11,13-14H,3-4,6-7,10,12H2,1-2H3,(H,20,23)/t13?,14-/m1/s1
InChIKeyJPAXJOMDKQZXRW-ARLHGKGLSA-N
MW336.86 g/mol
LogP4.10
Rot. Bonds5

About (3R)-N-(3-chlorophenyl)-7-oxo-1-pentan-2-ylazepane-3-carboxamide

(3R)-N-(3-chlorophenyl)-7-oxo-1-pentan-2-ylazepane-3-carboxamide (PubChem CID 163686162) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is (3R)-N-(3-chlorophenyl)-7-oxo-1-pentan-2-ylazepane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-chlorophenyl)-7-oxo-1-pentan-2-ylazepane-3-carboxamide
PubChem CID163686162
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC Name(3R)-N-(3-chlorophenyl)-7-oxo-1-pentan-2-ylazepane-3-carboxamide
SMILESCCCC(C)N1C[C@H](C(=O)Nc2cccc(Cl)c2)CCCC1=O
InChIInChI=1S/C18H25ClN2O2/c1-3-6-13(2)21-12-14(7-4-10-17(21)22)18(23)20-16-9-5-8-15(19)11-16/h5,8-9,11,13-14H,3-4,6-7,10,12H2,1-2H3,(H,20,23)/t13?,14-/m1/s1
InChIKeyJPAXJOMDKQZXRW-ARLHGKGLSA-N
XLogP4.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 113182191
(3S)-N-(3-chlorophenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 41066163
N-(3-chlorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide
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(3R)-N-(3-chlorophenyl)-1-methylpiperidine-3-carboxamide
CID 96590610
2-[5-[(3-chlorophenyl)carbamoyl]-2-oxopiperidin-1-yl]acetic acid
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1-butan-2-yl-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113182236
1-[1-(3-chloroanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide
CID 17498457
4-N-(3-chlorophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144371
N-(3-chlorophenyl)-1-[2-(2-hydroxyethylamino)-2-oxoethyl]-6-oxopiperidine-3-carboxamide
CID 143538325
(3S)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490524
(3R)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490525
(3R)-N-(3-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 92851283

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-chlorophenyl)-7-oxo-1-pentan-2-ylazepane-3-carboxamide?
The IUPAC name of (3R)-N-(3-chlorophenyl)-7-oxo-1-pentan-2-ylazepane-3-carboxamide (CID 163686162) is (3R)-N-(3-chlorophenyl)-7-oxo-1-pentan-2-ylazepane-3-carboxamide.
What is the SMILES notation for (3R)-N-(3-chlorophenyl)-7-oxo-1-pentan-2-ylazepane-3-carboxamide?
The canonical SMILES for (3R)-N-(3-chlorophenyl)-7-oxo-1-pentan-2-ylazepane-3-carboxamide is CCCC(C)N1C[C@H](C(=O)Nc2cccc(Cl)c2)CCCC1=O.
What is the InChIKey of (3R)-N-(3-chlorophenyl)-7-oxo-1-pentan-2-ylazepane-3-carboxamide?
The InChIKey is JPAXJOMDKQZXRW-ARLHGKGLSA-N. The full InChI is InChI=1S/C18H25ClN2O2/c1-3-6-13(2)21-12-14(7-4-10-17(21)22)18(23)20-16-9-5-8-15(19)11-16/h5,8-9,11,13-14H,3-4,6-7,10,12H2,1-2H3,(H,20,23)/t13?,14-/m1/s1.
What are the key properties of (3R)-N-(3-chlorophenyl)-7-oxo-1-pentan-2-ylazepane-3-carboxamide?
(3R)-N-(3-chlorophenyl)-7-oxo-1-pentan-2-ylazepane-3-carboxamide has a molecular weight of 336.86 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-chlorophenyl)-7-oxo-1-pentan-2-ylazepane-3-carboxamide is sourced from PubChem (CID 163686162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).