[2-[(4-acetamidobenzoyl)amino]-4-bromophenyl]carbamic acid

C16H14BrN3O4 — CID 67418412

IUPAC[2-[(4-acetamidobenzoyl)amino]-4-bromophenyl]carbamic acid
SMILESCC(=O)Nc1ccc(C(=O)Nc2cc(Br)ccc2NC(=O)O)cc1
InChIInChI=1S/C16H14BrN3O4/c1-9(21)18-12-5-2-10(3-6-12)15(22)19-14-8-11(17)4-7-13(14)20-16(23)24/h2-8,20H,1H3,(H,18,21)(H,19,22)(H,23,24)
InChIKeyQYNPIIPPAOVCTG-UHFFFAOYSA-N
MW392.21 g/mol
LogP3.75
Rot. Bonds4

About [2-[(4-acetamidobenzoyl)amino]-4-bromophenyl]carbamic acid

[2-[(4-acetamidobenzoyl)amino]-4-bromophenyl]carbamic acid (PubChem CID 67418412) has the molecular formula C16H14BrN3O4 and a molecular weight of 392.21 g/mol. Its IUPAC name is [2-[(4-acetamidobenzoyl)amino]-4-bromophenyl]carbamic acid.

Molecular Properties

Compound Name[2-[(4-acetamidobenzoyl)amino]-4-bromophenyl]carbamic acid
PubChem CID67418412
Molecular FormulaC16H14BrN3O4
Molecular Weight392.21 g/mol
Exact Mass391.02
IUPAC Name[2-[(4-acetamidobenzoyl)amino]-4-bromophenyl]carbamic acid
SMILESCC(=O)Nc1ccc(C(=O)Nc2cc(Br)ccc2NC(=O)O)cc1
InChIInChI=1S/C16H14BrN3O4/c1-9(21)18-12-5-2-10(3-6-12)15(22)19-14-8-11(17)4-7-13(14)20-16(23)24/h2-8,20H,1H3,(H,18,21)(H,19,22)(H,23,24)
InChIKeyQYNPIIPPAOVCTG-UHFFFAOYSA-N
XLogP3.75
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.21
LogP ≤ 53.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-acetamidobenzoyl)amino]-5-bromobenzoic acid
CID 5181471
tert-butyl N-[2-[(4-acetamidobenzoyl)amino]-4-bromophenyl]carbamate
CID 67291019
N-(2-acetamido-5-bromophenyl)-4-(trifluoromethylsulfanyl)benzamide
CID 52851677
N-[5-bromo-2-(methylamino)phenyl]benzamide
CID 175288167
N-(4-bromo-2-methylphenyl)-4-(2,2-dimethylpropanoylamino)benzamide
CID 1370379
N-(2,4-dibromophenyl)-4-methylbenzamide
CID 2707201
N-(5-bromo-2-methylphenyl)-4-methylbenzamide
CID 43806352
ethyl N-[4-[(4-bromo-2-methylphenyl)carbamoyl]phenyl]carbamate
CID 9159193
tert-butyl N-[2-[(4-acetamidobenzoyl)amino]-5-methylphenyl]carbamate
CID 170985606
4-bromo-N-(4-bromo-2-iodophenyl)benzamide
CID 3934518
4-[[4-[(4-acetamidobenzoyl)amino]benzoyl]amino]benzoic acid
CID 155141284
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178

Frequently Asked Questions

What is the IUPAC name of [2-[(4-acetamidobenzoyl)amino]-4-bromophenyl]carbamic acid?
The IUPAC name of [2-[(4-acetamidobenzoyl)amino]-4-bromophenyl]carbamic acid (CID 67418412) is [2-[(4-acetamidobenzoyl)amino]-4-bromophenyl]carbamic acid.
What is the SMILES notation for [2-[(4-acetamidobenzoyl)amino]-4-bromophenyl]carbamic acid?
The canonical SMILES for [2-[(4-acetamidobenzoyl)amino]-4-bromophenyl]carbamic acid is CC(=O)Nc1ccc(C(=O)Nc2cc(Br)ccc2NC(=O)O)cc1.
What is the InChIKey of [2-[(4-acetamidobenzoyl)amino]-4-bromophenyl]carbamic acid?
The InChIKey is QYNPIIPPAOVCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O4/c1-9(21)18-12-5-2-10(3-6-12)15(22)19-14-8-11(17)4-7-13(14)20-16(23)24/h2-8,20H,1H3,(H,18,21)(H,19,22)(H,23,24).
What are the key properties of [2-[(4-acetamidobenzoyl)amino]-4-bromophenyl]carbamic acid?
[2-[(4-acetamidobenzoyl)amino]-4-bromophenyl]carbamic acid has a molecular weight of 392.21 g/mol, XLogP of 3.75, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-acetamidobenzoyl)amino]-4-bromophenyl]carbamic acid is sourced from PubChem (CID 67418412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).