2-bromo-N-[2-(4-chlorophenyl)ethyl]-5-methoxybenzamide

C16H15BrClNO2 — CID 27646500

IUPAC2-bromo-N-[2-(4-chlorophenyl)ethyl]-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)NCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H15BrClNO2/c1-21-13-6-7-15(17)14(10-13)16(20)19-9-8-11-2-4-12(18)5-3-11/h2-7,10H,8-9H2,1H3,(H,19,20)
InChIKeyKJXWIVNIOSXDTL-UHFFFAOYSA-N
MW368.66 g/mol
LogP4.08
Rot. Bonds5

About 2-bromo-N-[2-(4-chlorophenyl)ethyl]-5-methoxybenzamide

2-bromo-N-[2-(4-chlorophenyl)ethyl]-5-methoxybenzamide (PubChem CID 27646500) has the molecular formula C16H15BrClNO2 and a molecular weight of 368.66 g/mol. Its IUPAC name is 2-bromo-N-[2-(4-chlorophenyl)ethyl]-5-methoxybenzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(4-chlorophenyl)ethyl]-5-methoxybenzamide
PubChem CID27646500
Molecular FormulaC16H15BrClNO2
Molecular Weight368.66 g/mol
Exact Mass367.00
IUPAC Name2-bromo-N-[2-(4-chlorophenyl)ethyl]-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)NCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H15BrClNO2/c1-21-13-6-7-15(17)14(10-13)16(20)19-9-8-11-2-4-12(18)5-3-11/h2-7,10H,8-9H2,1H3,(H,19,20)
InChIKeyKJXWIVNIOSXDTL-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

2-amino-N-[2-(4-chlorophenyl)ethyl]-5-methoxybenzamide
CID 61117267
2-bromo-5-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 27774139
5-chloro-2-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 26586018
2-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 699177
2-bromo-N-(4-chlorobutyl)-5-methoxybenzamide
CID 106845438
3-[(2-bromo-5-methoxybenzoyl)amino]propanoic acid
CID 24706938
2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide
CID 43600621
4-chloro-2-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 26024473
2-bromo-5-methoxy-N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]benzamide
CID 154576769
N-[2-(4-chlorophenyl)ethyl]-5-methoxy-1H-indole-3-carboxamide
CID 113206005
2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429716
2,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 18189798

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(4-chlorophenyl)ethyl]-5-methoxybenzamide?
The IUPAC name of 2-bromo-N-[2-(4-chlorophenyl)ethyl]-5-methoxybenzamide (CID 27646500) is 2-bromo-N-[2-(4-chlorophenyl)ethyl]-5-methoxybenzamide.
What is the SMILES notation for 2-bromo-N-[2-(4-chlorophenyl)ethyl]-5-methoxybenzamide?
The canonical SMILES for 2-bromo-N-[2-(4-chlorophenyl)ethyl]-5-methoxybenzamide is COc1ccc(Br)c(C(=O)NCCc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-bromo-N-[2-(4-chlorophenyl)ethyl]-5-methoxybenzamide?
The InChIKey is KJXWIVNIOSXDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO2/c1-21-13-6-7-15(17)14(10-13)16(20)19-9-8-11-2-4-12(18)5-3-11/h2-7,10H,8-9H2,1H3,(H,19,20).
What are the key properties of 2-bromo-N-[2-(4-chlorophenyl)ethyl]-5-methoxybenzamide?
2-bromo-N-[2-(4-chlorophenyl)ethyl]-5-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 2-bromo-N-[2-(4-chlorophenyl)ethyl]-5-methoxybenzamide is sourced from PubChem (CID 27646500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).