methyl 5-bromo-2-(phenylcarbamoylamino)benzoate

C15H13BrN2O3 — CID 939786

IUPACmethyl 5-bromo-2-(phenylcarbamoylamino)benzoate
SMILESCOC(=O)c1cc(Br)ccc1NC(=O)Nc1ccccc1
InChIInChI=1S/C15H13BrN2O3/c1-21-14(19)12-9-10(16)7-8-13(12)18-15(20)17-11-5-3-2-4-6-11/h2-9H,1H3,(H2,17,18,20)
InChIKeyGYQVAQZFEYRDCK-UHFFFAOYSA-N
MW349.18 g/mol
LogP3.88
Rot. Bonds3

About methyl 5-bromo-2-(phenylcarbamoylamino)benzoate

methyl 5-bromo-2-(phenylcarbamoylamino)benzoate (PubChem CID 939786) has the molecular formula C15H13BrN2O3 and a molecular weight of 349.18 g/mol. Its IUPAC name is methyl 5-bromo-2-(phenylcarbamoylamino)benzoate.

Molecular Properties

Compound Namemethyl 5-bromo-2-(phenylcarbamoylamino)benzoate
PubChem CID939786
Molecular FormulaC15H13BrN2O3
Molecular Weight349.18 g/mol
Exact Mass348.01
IUPAC Namemethyl 5-bromo-2-(phenylcarbamoylamino)benzoate
SMILESCOC(=O)c1cc(Br)ccc1NC(=O)Nc1ccccc1
InChIInChI=1S/C15H13BrN2O3/c1-21-14(19)12-9-10(16)7-8-13(12)18-15(20)17-11-5-3-2-4-6-11/h2-9H,1H3,(H2,17,18,20)
InChIKeyGYQVAQZFEYRDCK-UHFFFAOYSA-N
XLogP3.88
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methyl 5-bromo-2-(phenylcarbamoylamino)benzoate 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

methyl 5-bromo-2-[(4-methylphenyl)carbamoylamino]benzoate
CID 1323538
methyl 5-bromo-2-(ethylcarbamoylamino)benzoate
CID 799287
methyl 5-bromo-2-[(2-bromobenzoyl)amino]benzoate
CID 19168688
1-(4-bromo-2-fluorophenyl)-3-phenylurea
CID 897521
methyl 5-fluoro-2-[(3-fluorophenyl)carbamoylamino]benzoate
CID 134104777
methyl 5-bromo-2-(trideuteriomethylamino)benzoate
CID 155292068
[(2R)-1-anilino-1-oxopropan-2-yl] 5-bromo-2-hydroxybenzoate
CID 7365616
[(2R)-1-anilino-1-oxopropan-2-yl] 2-amino-5-bromobenzoate
CID 7149241
2-anilino-5-bromo-N-phenylbenzamide
CID 23094060
5-bromo-2-[(2-chlorophenyl)carbamoylamino]benzoic acid
CID 62074134
methyl 2-[(4-acetylphenyl)carbamoylamino]benzoate
CID 108992262
1-(2-benzoyl-4-bromophenyl)-3-(4-nitrophenyl)urea
CID 3126800

Frequently Asked Questions

What is the IUPAC name of methyl 5-bromo-2-(phenylcarbamoylamino)benzoate?
The IUPAC name of methyl 5-bromo-2-(phenylcarbamoylamino)benzoate (CID 939786) is methyl 5-bromo-2-(phenylcarbamoylamino)benzoate.
What is the SMILES notation for methyl 5-bromo-2-(phenylcarbamoylamino)benzoate?
The canonical SMILES for methyl 5-bromo-2-(phenylcarbamoylamino)benzoate is COC(=O)c1cc(Br)ccc1NC(=O)Nc1ccccc1.
What is the InChIKey of methyl 5-bromo-2-(phenylcarbamoylamino)benzoate?
The InChIKey is GYQVAQZFEYRDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O3/c1-21-14(19)12-9-10(16)7-8-13(12)18-15(20)17-11-5-3-2-4-6-11/h2-9H,1H3,(H2,17,18,20).
What are the key properties of methyl 5-bromo-2-(phenylcarbamoylamino)benzoate?
methyl 5-bromo-2-(phenylcarbamoylamino)benzoate has a molecular weight of 349.18 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-bromo-2-(phenylcarbamoylamino)benzoate is sourced from PubChem (CID 939786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).