N-[2-(azepan-1-yl)phenyl]-4-ethylbenzamide

C21H26N2O — CID 18267161

IUPACN-[2-(azepan-1-yl)phenyl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2ccccc2N2CCCCCC2)cc1
InChIInChI=1S/C21H26N2O/c1-2-17-11-13-18(14-12-17)21(24)22-19-9-5-6-10-20(19)23-15-7-3-4-8-16-23/h5-6,9-14H,2-4,7-8,15-16H2,1H3,(H,22,24)
InChIKeyXQYRTWZRDUXVSH-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.88
Rot. Bonds4

About N-[2-(azepan-1-yl)phenyl]-4-ethylbenzamide

N-[2-(azepan-1-yl)phenyl]-4-ethylbenzamide (PubChem CID 18267161) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)phenyl]-4-ethylbenzamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)phenyl]-4-ethylbenzamide
PubChem CID18267161
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC NameN-[2-(azepan-1-yl)phenyl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2ccccc2N2CCCCCC2)cc1
InChIInChI=1S/C21H26N2O/c1-2-17-11-13-18(14-12-17)21(24)22-19-9-5-6-10-20(19)23-15-7-3-4-8-16-23/h5-6,9-14H,2-4,7-8,15-16H2,1H3,(H,22,24)
InChIKeyXQYRTWZRDUXVSH-UHFFFAOYSA-N
XLogP4.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 2677776
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N-[2-(azepan-1-yl)phenyl]benzamide
CID 24652732
4-amino-N-(2-piperidin-1-ylphenyl)benzamide
CID 119828017
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-ethylbenzamide
CID 2199021
4-[(2-oxopyrrolidin-1-yl)methyl]-N-(2-piperidin-1-ylphenyl)benzamide
CID 32760714
4-butan-2-yloxy-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 3584037
N-[2-(azepan-1-yl)phenyl]-4-(methylsulfamoyl)benzamide
CID 38282895
N-(2-piperidin-1-ylphenyl)propanamide
CID 960826
N-(2-piperidin-1-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 7550938
N-[2-(azepan-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 22831307
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CID 7492197

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)phenyl]-4-ethylbenzamide?
The IUPAC name of N-[2-(azepan-1-yl)phenyl]-4-ethylbenzamide (CID 18267161) is N-[2-(azepan-1-yl)phenyl]-4-ethylbenzamide.
What is the SMILES notation for N-[2-(azepan-1-yl)phenyl]-4-ethylbenzamide?
The canonical SMILES for N-[2-(azepan-1-yl)phenyl]-4-ethylbenzamide is CCc1ccc(C(=O)Nc2ccccc2N2CCCCCC2)cc1.
What is the InChIKey of N-[2-(azepan-1-yl)phenyl]-4-ethylbenzamide?
The InChIKey is XQYRTWZRDUXVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-2-17-11-13-18(14-12-17)21(24)22-19-9-5-6-10-20(19)23-15-7-3-4-8-16-23/h5-6,9-14H,2-4,7-8,15-16H2,1H3,(H,22,24).
What are the key properties of N-[2-(azepan-1-yl)phenyl]-4-ethylbenzamide?
N-[2-(azepan-1-yl)phenyl]-4-ethylbenzamide has a molecular weight of 322.45 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)phenyl]-4-ethylbenzamide is sourced from PubChem (CID 18267161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).