N-[4-(azepane-1-carbonyl)phenyl]-3-(2-chlorophenyl)propanamide

C22H25ClN2O2 — CID 17199159

IUPACN-[4-(azepane-1-carbonyl)phenyl]-3-(2-chlorophenyl)propanamide
SMILESO=C(CCc1ccccc1Cl)Nc1ccc(C(=O)N2CCCCCC2)cc1
InChIInChI=1S/C22H25ClN2O2/c23-20-8-4-3-7-17(20)11-14-21(26)24-19-12-9-18(10-13-19)22(27)25-15-5-1-2-6-16-25/h3-4,7-10,12-13H,1-2,5-6,11,14-16H2,(H,24,26)
InChIKeyOIRDYNWPNZTVFP-UHFFFAOYSA-N
MW384.91 g/mol
LogP4.93
Rot. Bonds5

About N-[4-(azepane-1-carbonyl)phenyl]-3-(2-chlorophenyl)propanamide

N-[4-(azepane-1-carbonyl)phenyl]-3-(2-chlorophenyl)propanamide (PubChem CID 17199159) has the molecular formula C22H25ClN2O2 and a molecular weight of 384.91 g/mol. Its IUPAC name is N-[4-(azepane-1-carbonyl)phenyl]-3-(2-chlorophenyl)propanamide.

Molecular Properties

Compound NameN-[4-(azepane-1-carbonyl)phenyl]-3-(2-chlorophenyl)propanamide
PubChem CID17199159
Molecular FormulaC22H25ClN2O2
Molecular Weight384.91 g/mol
Exact Mass384.16
IUPAC NameN-[4-(azepane-1-carbonyl)phenyl]-3-(2-chlorophenyl)propanamide
SMILESO=C(CCc1ccccc1Cl)Nc1ccc(C(=O)N2CCCCCC2)cc1
InChIInChI=1S/C22H25ClN2O2/c23-20-8-4-3-7-17(20)11-14-21(26)24-19-12-9-18(10-13-19)22(27)25-15-5-1-2-6-16-25/h3-4,7-10,12-13H,1-2,5-6,11,14-16H2,(H,24,26)
InChIKeyOIRDYNWPNZTVFP-UHFFFAOYSA-N
XLogP4.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(azepane-1-carbonyl)phenyl]-3-[(2-chlorophenyl)methyl]urea
CID 52667072
3-(2-chlorophenyl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 17179010
N,N'-bis[4-(piperidine-1-carbonyl)phenyl]nonanediamide
CID 43878316
N-[4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54839493
3-(2-chlorophenyl)-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
CID 26158318
4-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)anilino]propyl]benzoic acid
CID 119180120
2-(4-chlorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 17173032
4-(azepane-1-carbonyl)-N-[(2-chlorophenyl)methyl]benzamide
CID 109047312
3-(2-fluorophenyl)-N-[3-(piperidine-1-carbonyl)phenyl]propanamide
CID 55862325
3-(4-methoxyphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]propanamide
CID 17148804
3-(2-aminophenyl)-N-[3-(piperidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 120609510
3-(2,5-dimethoxyphenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 38018921

Frequently Asked Questions

What is the IUPAC name of N-[4-(azepane-1-carbonyl)phenyl]-3-(2-chlorophenyl)propanamide?
The IUPAC name of N-[4-(azepane-1-carbonyl)phenyl]-3-(2-chlorophenyl)propanamide (CID 17199159) is N-[4-(azepane-1-carbonyl)phenyl]-3-(2-chlorophenyl)propanamide.
What is the SMILES notation for N-[4-(azepane-1-carbonyl)phenyl]-3-(2-chlorophenyl)propanamide?
The canonical SMILES for N-[4-(azepane-1-carbonyl)phenyl]-3-(2-chlorophenyl)propanamide is O=C(CCc1ccccc1Cl)Nc1ccc(C(=O)N2CCCCCC2)cc1.
What is the InChIKey of N-[4-(azepane-1-carbonyl)phenyl]-3-(2-chlorophenyl)propanamide?
The InChIKey is OIRDYNWPNZTVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O2/c23-20-8-4-3-7-17(20)11-14-21(26)24-19-12-9-18(10-13-19)22(27)25-15-5-1-2-6-16-25/h3-4,7-10,12-13H,1-2,5-6,11,14-16H2,(H,24,26).
What are the key properties of N-[4-(azepane-1-carbonyl)phenyl]-3-(2-chlorophenyl)propanamide?
N-[4-(azepane-1-carbonyl)phenyl]-3-(2-chlorophenyl)propanamide has a molecular weight of 384.91 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepane-1-carbonyl)phenyl]-3-(2-chlorophenyl)propanamide is sourced from PubChem (CID 17199159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).