3-bromo-N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzamide

C16H15BrClNO2 — CID 27838766

IUPAC3-bromo-N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCc2cccc(Cl)c2)cc1Br
InChIInChI=1S/C16H15BrClNO2/c1-21-15-6-5-12(10-14(15)17)16(20)19-8-7-11-3-2-4-13(18)9-11/h2-6,9-10H,7-8H2,1H3,(H,19,20)
InChIKeyKMGDCZAOOFQHIW-UHFFFAOYSA-N
MW368.66 g/mol
LogP4.08
Rot. Bonds5

About 3-bromo-N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzamide

3-bromo-N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzamide (PubChem CID 27838766) has the molecular formula C16H15BrClNO2 and a molecular weight of 368.66 g/mol. Its IUPAC name is 3-bromo-N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzamide
PubChem CID27838766
Molecular FormulaC16H15BrClNO2
Molecular Weight368.66 g/mol
Exact Mass367.00
IUPAC Name3-bromo-N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCc2cccc(Cl)c2)cc1Br
InChIInChI=1S/C16H15BrClNO2/c1-21-15-6-5-12(10-14(15)17)16(20)19-8-7-11-3-2-4-13(18)9-11/h2-6,9-10H,7-8H2,1H3,(H,19,20)
InChIKeyKMGDCZAOOFQHIW-UHFFFAOYSA-N
XLogP4.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.66
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-4-methoxy-3-nitrobenzamide
CID 27838571
3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
CID 5120217
3,5-dichloro-N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzamide
CID 18276119
3,4-dichloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 888038
2-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
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3-bromo-4-methoxy-N-pentylbenzamide
CID 60660286
N-[2-(3-chlorophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63213299
N-[2-(3-chlorophenyl)ethyl]-3-ethylbenzamide;ethane
CID 143158267
3-bromo-N-(3-bromopropyl)-4-methoxybenzamide
CID 61033584
1-N,3-N-bis[(3-chlorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide
CID 71608078
N-[2-(3-chlorophenyl)ethyl]-3-[3-(hydroxycarbamoyl)phenyl]benzamide
CID 25255713
4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 113098173

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzamide?
The IUPAC name of 3-bromo-N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzamide (CID 27838766) is 3-bromo-N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzamide.
What is the SMILES notation for 3-bromo-N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzamide?
The canonical SMILES for 3-bromo-N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzamide is COc1ccc(C(=O)NCCc2cccc(Cl)c2)cc1Br.
What is the InChIKey of 3-bromo-N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzamide?
The InChIKey is KMGDCZAOOFQHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO2/c1-21-15-6-5-12(10-14(15)17)16(20)19-8-7-11-3-2-4-13(18)9-11/h2-6,9-10H,7-8H2,1H3,(H,19,20).
What are the key properties of 3-bromo-N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzamide?
3-bromo-N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzamide has a molecular weight of 368.66 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzamide is sourced from PubChem (CID 27838766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).