N-[2-(2-amino-2-oxoethyl)phenyl]-3-bromo-4-methoxybenzamide

C16H15BrN2O3 — CID 47037283

IUPACN-[2-(2-amino-2-oxoethyl)phenyl]-3-bromo-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2CC(N)=O)cc1Br
InChIInChI=1S/C16H15BrN2O3/c1-22-14-7-6-11(8-12(14)17)16(21)19-13-5-3-2-4-10(13)9-15(18)20/h2-8H,9H2,1H3,(H2,18,20)(H,19,21)
InChIKeyMQJJRKPLODIRET-UHFFFAOYSA-N
MW363.21 g/mol
LogP2.74
Rot. Bonds5

About N-[2-(2-amino-2-oxoethyl)phenyl]-3-bromo-4-methoxybenzamide

N-[2-(2-amino-2-oxoethyl)phenyl]-3-bromo-4-methoxybenzamide (PubChem CID 47037283) has the molecular formula C16H15BrN2O3 and a molecular weight of 363.21 g/mol. Its IUPAC name is N-[2-(2-amino-2-oxoethyl)phenyl]-3-bromo-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-oxoethyl)phenyl]-3-bromo-4-methoxybenzamide
PubChem CID47037283
Molecular FormulaC16H15BrN2O3
Molecular Weight363.21 g/mol
Exact Mass362.03
IUPAC NameN-[2-(2-amino-2-oxoethyl)phenyl]-3-bromo-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2CC(N)=O)cc1Br
InChIInChI=1S/C16H15BrN2O3/c1-22-14-7-6-11(8-12(14)17)16(21)19-13-5-3-2-4-10(13)9-15(18)20/h2-8H,9H2,1H3,(H2,18,20)(H,19,21)
InChIKeyMQJJRKPLODIRET-UHFFFAOYSA-N
XLogP2.74
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.21
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-methoxy-N-(2-methylphenyl)benzamide
CID 798203
methyl 2-[(3-bromo-4-methoxybenzoyl)amino]benzoate
CID 1226570
2-[(3-bromo-4-methoxybenzoyl)amino]benzoic acid
CID 43241988
3-bromo-4-methoxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150898
3-bromo-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 41369739
N-(2-amino-2-oxoethoxy)-3-bromo-4-methoxybenzamide
CID 112550861
N-(2-ethylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79600914
3-bromo-N-[2-(2-ethoxyethoxy)phenyl]-4-methoxybenzamide
CID 17134058
N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-4-methoxybenzamide
CID 62952153
N-(2,1,3-benzoselenadiazol-4-yl)-3-bromo-4-methoxybenzamide
CID 60660920
3-bromo-4-methoxy-N-[(2-methoxyphenyl)carbamothioyl]benzamide
CID 1139228
3-bromo-4-methoxy-N-[4-[(2-phenylacetyl)amino]phenyl]benzamide
CID 2236980

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-oxoethyl)phenyl]-3-bromo-4-methoxybenzamide?
The IUPAC name of N-[2-(2-amino-2-oxoethyl)phenyl]-3-bromo-4-methoxybenzamide (CID 47037283) is N-[2-(2-amino-2-oxoethyl)phenyl]-3-bromo-4-methoxybenzamide.
What is the SMILES notation for N-[2-(2-amino-2-oxoethyl)phenyl]-3-bromo-4-methoxybenzamide?
The canonical SMILES for N-[2-(2-amino-2-oxoethyl)phenyl]-3-bromo-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccccc2CC(N)=O)cc1Br.
What is the InChIKey of N-[2-(2-amino-2-oxoethyl)phenyl]-3-bromo-4-methoxybenzamide?
The InChIKey is MQJJRKPLODIRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O3/c1-22-14-7-6-11(8-12(14)17)16(21)19-13-5-3-2-4-10(13)9-15(18)20/h2-8H,9H2,1H3,(H2,18,20)(H,19,21).
What are the key properties of N-[2-(2-amino-2-oxoethyl)phenyl]-3-bromo-4-methoxybenzamide?
N-[2-(2-amino-2-oxoethyl)phenyl]-3-bromo-4-methoxybenzamide has a molecular weight of 363.21 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-2-oxoethyl)phenyl]-3-bromo-4-methoxybenzamide is sourced from PubChem (CID 47037283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).