3-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]benzamide

C15H13BrClNO2 — CID 103975255

IUPAC3-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2cccc(Br)c2Cl)cc1
InChIInChI=1S/C15H13BrClNO2/c1-20-11-7-5-10(6-8-11)9-18-15(19)12-3-2-4-13(16)14(12)17/h2-8H,9H2,1H3,(H,18,19)
InChIKeySZCZLRXNZWXNND-UHFFFAOYSA-N
MW354.63 g/mol
LogP4.04
Rot. Bonds4

About 3-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]benzamide

3-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]benzamide (PubChem CID 103975255) has the molecular formula C15H13BrClNO2 and a molecular weight of 354.63 g/mol. Its IUPAC name is 3-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]benzamide
PubChem CID103975255
Molecular FormulaC15H13BrClNO2
Molecular Weight354.63 g/mol
Exact Mass352.98
IUPAC Name3-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2cccc(Br)c2Cl)cc1
InChIInChI=1S/C15H13BrClNO2/c1-20-11-7-5-10(6-8-11)9-18-15(19)12-3-2-4-13(16)14(12)17/h2-8H,9H2,1H3,(H,18,19)
InChIKeySZCZLRXNZWXNND-UHFFFAOYSA-N
XLogP4.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.63
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-bromobenzoyl)amino]-N-[(4-methoxyphenyl)methyl]benzamide
CID 26549860
3-bromo-2-chloro-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 103985509
2-chloro-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 110763493
3-bromo-2-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
CID 167798638
3-bromo-N-(2-bromo-5-methoxyphenyl)-2-chlorobenzamide
CID 103989322
2-bromo-N-[(4-methoxyphenyl)methyl]-5-sulfanylbenzamide
CID 107020380
2-bromo-N-[[4-(chloromethyl)phenyl]methyl]-5-methoxybenzamide
CID 107233398
2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]benzamide
CID 42006664
2-acetamido-N-[(4-methoxyphenyl)methyl]benzamide
CID 3350357
2-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 699177
2,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 779696
N-[(4-methoxyphenyl)methyl]-2-methylsulfonylbenzamide
CID 7959595

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]benzamide?
The IUPAC name of 3-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]benzamide (CID 103975255) is 3-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 3-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 3-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]benzamide is COc1ccc(CNC(=O)c2cccc(Br)c2Cl)cc1.
What is the InChIKey of 3-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]benzamide?
The InChIKey is SZCZLRXNZWXNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO2/c1-20-11-7-5-10(6-8-11)9-18-15(19)12-3-2-4-13(16)14(12)17/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 3-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]benzamide?
3-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]benzamide has a molecular weight of 354.63 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 103975255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).