phenyl N-[2-(4-bromoanilino)-2-oxoethyl]-N-methylcarbamate

C16H15BrN2O3 — CID 4714172

IUPACphenyl N-[2-(4-bromoanilino)-2-oxoethyl]-N-methylcarbamate
SMILESCN(CC(=O)Nc1ccc(Br)cc1)C(=O)Oc1ccccc1
InChIInChI=1S/C16H15BrN2O3/c1-19(16(21)22-14-5-3-2-4-6-14)11-15(20)18-13-9-7-12(17)8-10-13/h2-10H,11H2,1H3,(H,18,20)
InChIKeyGQWWLPYOCQJCML-UHFFFAOYSA-N
MW363.21 g/mol
LogP3.52
Rot. Bonds4

About phenyl N-[2-(4-bromoanilino)-2-oxoethyl]-N-methylcarbamate

phenyl N-[2-(4-bromoanilino)-2-oxoethyl]-N-methylcarbamate (PubChem CID 4714172) has the molecular formula C16H15BrN2O3 and a molecular weight of 363.21 g/mol. Its IUPAC name is phenyl N-[2-(4-bromoanilino)-2-oxoethyl]-N-methylcarbamate.

Molecular Properties

Compound Namephenyl N-[2-(4-bromoanilino)-2-oxoethyl]-N-methylcarbamate
PubChem CID4714172
Molecular FormulaC16H15BrN2O3
Molecular Weight363.21 g/mol
Exact Mass362.03
IUPAC Namephenyl N-[2-(4-bromoanilino)-2-oxoethyl]-N-methylcarbamate
SMILESCN(CC(=O)Nc1ccc(Br)cc1)C(=O)Oc1ccccc1
InChIInChI=1S/C16H15BrN2O3/c1-19(16(21)22-14-5-3-2-4-6-14)11-15(20)18-13-9-7-12(17)8-10-13/h2-10H,11H2,1H3,(H,18,20)
InChIKeyGQWWLPYOCQJCML-UHFFFAOYSA-N
XLogP3.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.21
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze phenyl N-[2-(4-bromoanilino)-2-oxoethyl]-N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

phenyl N-[2-(dibenzofuran-3-ylamino)-2-oxoethyl]-N-methylcarbamate
CID 126004369
phenyl N-methyl-N-[2-oxo-2-(propylamino)ethyl]carbamate
CID 60636579
2-[[2-(4-bromoanilino)-2-oxoethyl]-methylamino]acetic acid
CID 43442287
N-(4-bromophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 1356960
methyl N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylcarbamate
CID 47129052
2-[methyl-[2-(2-phenoxyethoxy)acetyl]amino]-N-(4-methylphenyl)acetamide
CID 55702661
N-(4-bromophenyl)-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 46562888
3-[benzyl(methyl)amino]-N-(4-bromophenyl)propanamide;hydrochloride
CID 90483527
2-[(4-bromophenyl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 2657324
N-(4-bromophenyl)-2-(2,2-dimethylhydrazinyl)acetamide
CID 83014365
2-[(4-fluorophenyl)carbamoyl-methylamino]-N-phenylacetamide
CID 134121107
N-(4-bromophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 9048943

Frequently Asked Questions

What is the IUPAC name of phenyl N-[2-(4-bromoanilino)-2-oxoethyl]-N-methylcarbamate?
The IUPAC name of phenyl N-[2-(4-bromoanilino)-2-oxoethyl]-N-methylcarbamate (CID 4714172) is phenyl N-[2-(4-bromoanilino)-2-oxoethyl]-N-methylcarbamate.
What is the SMILES notation for phenyl N-[2-(4-bromoanilino)-2-oxoethyl]-N-methylcarbamate?
The canonical SMILES for phenyl N-[2-(4-bromoanilino)-2-oxoethyl]-N-methylcarbamate is CN(CC(=O)Nc1ccc(Br)cc1)C(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-[2-(4-bromoanilino)-2-oxoethyl]-N-methylcarbamate?
The InChIKey is GQWWLPYOCQJCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O3/c1-19(16(21)22-14-5-3-2-4-6-14)11-15(20)18-13-9-7-12(17)8-10-13/h2-10H,11H2,1H3,(H,18,20).
What are the key properties of phenyl N-[2-(4-bromoanilino)-2-oxoethyl]-N-methylcarbamate?
phenyl N-[2-(4-bromoanilino)-2-oxoethyl]-N-methylcarbamate has a molecular weight of 363.21 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[2-(4-bromoanilino)-2-oxoethyl]-N-methylcarbamate is sourced from PubChem (CID 4714172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).