N-(3-acetamido-4-methoxyphenyl)-3-bromobenzamide

C16H15BrN2O3 — CID 35346015

IUPACN-(3-acetamido-4-methoxyphenyl)-3-bromobenzamide
SMILESCOc1ccc(NC(=O)c2cccc(Br)c2)cc1NC(C)=O
InChIInChI=1S/C16H15BrN2O3/c1-10(20)18-14-9-13(6-7-15(14)22-2)19-16(21)11-4-3-5-12(17)8-11/h3-9H,1-2H3,(H,18,20)(H,19,21)
InChIKeyLKGQZUNDMPFNQN-UHFFFAOYSA-N
MW363.21 g/mol
LogP3.67
Rot. Bonds4

About N-(3-acetamido-4-methoxyphenyl)-3-bromobenzamide

N-(3-acetamido-4-methoxyphenyl)-3-bromobenzamide (PubChem CID 35346015) has the molecular formula C16H15BrN2O3 and a molecular weight of 363.21 g/mol. Its IUPAC name is N-(3-acetamido-4-methoxyphenyl)-3-bromobenzamide.

Molecular Properties

Compound NameN-(3-acetamido-4-methoxyphenyl)-3-bromobenzamide
PubChem CID35346015
Molecular FormulaC16H15BrN2O3
Molecular Weight363.21 g/mol
Exact Mass362.03
IUPAC NameN-(3-acetamido-4-methoxyphenyl)-3-bromobenzamide
SMILESCOc1ccc(NC(=O)c2cccc(Br)c2)cc1NC(C)=O
InChIInChI=1S/C16H15BrN2O3/c1-10(20)18-14-9-13(6-7-15(14)22-2)19-16(21)11-4-3-5-12(17)8-11/h3-9H,1-2H3,(H,18,20)(H,19,21)
InChIKeyLKGQZUNDMPFNQN-UHFFFAOYSA-N
XLogP3.67
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.21
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[5-[(3-bromobenzoyl)amino]-2-methoxyphenyl]carbamate
CID 46461019
3-acetamido-N-(3-acetylphenyl)-4-methoxybenzamide
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3-[(3-bromobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 52644751
3-bromo-N-(4-bromo-3-methoxyphenyl)benzamide
CID 79421204
N-(5-amino-2-methoxyphenyl)-3-bromobenzamide
CID 24699431
3-bromo-N-(5-tert-butyl-2-methoxyphenyl)benzamide
CID 2669093
N-(4-acetamido-3-chlorophenyl)-3-bromobenzamide
CID 51321405
N-(3-acetamido-4-methoxyphenyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 46543736
N-(3-acetamido-4-methoxyphenyl)-3-[2-(dimethylamino)-2-oxoethoxy]benzamide
CID 55775627
3-acetamido-N-(2-methoxy-5-propan-2-ylphenyl)benzamide
CID 110792606
3-acetamido-N-(5-tert-butyl-2-methoxyphenyl)benzamide
CID 167854424
3-bromo-N-[6-(2-methoxyanilino)-3-pyridinyl]benzamide
CID 113019293

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-methoxyphenyl)-3-bromobenzamide?
The IUPAC name of N-(3-acetamido-4-methoxyphenyl)-3-bromobenzamide (CID 35346015) is N-(3-acetamido-4-methoxyphenyl)-3-bromobenzamide.
What is the SMILES notation for N-(3-acetamido-4-methoxyphenyl)-3-bromobenzamide?
The canonical SMILES for N-(3-acetamido-4-methoxyphenyl)-3-bromobenzamide is COc1ccc(NC(=O)c2cccc(Br)c2)cc1NC(C)=O.
What is the InChIKey of N-(3-acetamido-4-methoxyphenyl)-3-bromobenzamide?
The InChIKey is LKGQZUNDMPFNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O3/c1-10(20)18-14-9-13(6-7-15(14)22-2)19-16(21)11-4-3-5-12(17)8-11/h3-9H,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-(3-acetamido-4-methoxyphenyl)-3-bromobenzamide?
N-(3-acetamido-4-methoxyphenyl)-3-bromobenzamide has a molecular weight of 363.21 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-methoxyphenyl)-3-bromobenzamide is sourced from PubChem (CID 35346015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).