2-[(4-bromo-2-cyanophenyl)carbamoylamino]acetic acid

C10H8BrN3O3 — CID 82704504

IUPAC2-[(4-bromo-2-cyanophenyl)carbamoylamino]acetic acid
SMILESN#Cc1cc(Br)ccc1NC(=O)NCC(=O)O
InChIInChI=1S/C10H8BrN3O3/c11-7-1-2-8(6(3-7)4-12)14-10(17)13-5-9(15)16/h1-3H,5H2,(H,15,16)(H2,13,14,17)
InChIKeyFWACTNQDUOUMPW-UHFFFAOYSA-N
MW298.10 g/mol
LogP1.53
Rot. Bonds3

About 2-[(4-bromo-2-cyanophenyl)carbamoylamino]acetic acid

2-[(4-bromo-2-cyanophenyl)carbamoylamino]acetic acid (PubChem CID 82704504) has the molecular formula C10H8BrN3O3 and a molecular weight of 298.10 g/mol. Its IUPAC name is 2-[(4-bromo-2-cyanophenyl)carbamoylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-bromo-2-cyanophenyl)carbamoylamino]acetic acid
PubChem CID82704504
Molecular FormulaC10H8BrN3O3
Molecular Weight298.10 g/mol
Exact Mass296.97
IUPAC Name2-[(4-bromo-2-cyanophenyl)carbamoylamino]acetic acid
SMILESN#Cc1cc(Br)ccc1NC(=O)NCC(=O)O
InChIInChI=1S/C10H8BrN3O3/c11-7-1-2-8(6(3-7)4-12)14-10(17)13-5-9(15)16/h1-3H,5H2,(H,15,16)(H2,13,14,17)
InChIKeyFWACTNQDUOUMPW-UHFFFAOYSA-N
XLogP1.53
TPSA102.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.10
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(4-bromo-2-cyanophenyl)carbamoylamino]acetic acid 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

2-[[2-cyano-4-(trifluoromethyl)phenyl]carbamoylamino]acetic acid
CID 115911428
2-[[(4-bromo-2-cyanophenyl)carbamoylamino]methyl]-2-methylbutanoic acid
CID 82698311
(4-bromo-2-cyanophenyl)urea
CID 82708837
4-amino-2-[(4-bromo-2-cyanophenyl)carbamoylamino]-4-oxobutanoic acid
CID 82698190
(2R)-4-amino-2-[(4-bromo-2-cyanophenyl)carbamoylamino]-4-oxobutanoic acid
CID 107828653
2-(4-bromo-2-cyanoanilino)oxyacetic acid
CID 114890291
(E)-4-(4-bromo-2-cyanoanilino)-4-oxobut-2-enoic acid
CID 82702737
N-(4-bromo-2-cyanophenyl)-2-cyanopropanamide
CID 82708389
N-[(4-bromo-2-cyanophenyl)carbamoyl]-2-chloropropanamide
CID 82703908
1-[2-(4-bromophenyl)-2-oxoethyl]-3-(2-cyanophenyl)urea
CID 11451189
3-(4-bromo-2-cyanophenyl)-1,1-dimethylurea
CID 82708797
2-(4-bromo-2-cyanoanilino)acetamide
CID 58118512

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-cyanophenyl)carbamoylamino]acetic acid?
The IUPAC name of 2-[(4-bromo-2-cyanophenyl)carbamoylamino]acetic acid (CID 82704504) is 2-[(4-bromo-2-cyanophenyl)carbamoylamino]acetic acid.
What is the SMILES notation for 2-[(4-bromo-2-cyanophenyl)carbamoylamino]acetic acid?
The canonical SMILES for 2-[(4-bromo-2-cyanophenyl)carbamoylamino]acetic acid is N#Cc1cc(Br)ccc1NC(=O)NCC(=O)O.
What is the InChIKey of 2-[(4-bromo-2-cyanophenyl)carbamoylamino]acetic acid?
The InChIKey is FWACTNQDUOUMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O3/c11-7-1-2-8(6(3-7)4-12)14-10(17)13-5-9(15)16/h1-3H,5H2,(H,15,16)(H2,13,14,17).
What are the key properties of 2-[(4-bromo-2-cyanophenyl)carbamoylamino]acetic acid?
2-[(4-bromo-2-cyanophenyl)carbamoylamino]acetic acid has a molecular weight of 298.10 g/mol, XLogP of 1.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-cyanophenyl)carbamoylamino]acetic acid is sourced from PubChem (CID 82704504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).