2-[2-(carbamoylamino)-4-chlorophenyl]prop-2-enoic acid

C10H9ClN2O3 — CID 86606867

IUPAC2-[2-(carbamoylamino)-4-chlorophenyl]prop-2-enoic acid
SMILESC=C(C(=O)O)c1ccc(Cl)cc1NC(N)=O
InChIInChI=1S/C10H9ClN2O3/c1-5(9(14)15)7-3-2-6(11)4-8(7)13-10(12)16/h2-4H,1H2,(H,14,15)(H3,12,13,16)
InChIKeyJEDLMDLIMCEJDG-UHFFFAOYSA-N
MW240.65 g/mol
LogP1.93
Rot. Bonds3

About 2-[2-(carbamoylamino)-4-chlorophenyl]prop-2-enoic acid

2-[2-(carbamoylamino)-4-chlorophenyl]prop-2-enoic acid (PubChem CID 86606867) has the molecular formula C10H9ClN2O3 and a molecular weight of 240.65 g/mol. Its IUPAC name is 2-[2-(carbamoylamino)-4-chlorophenyl]prop-2-enoic acid.

Molecular Properties

Compound Name2-[2-(carbamoylamino)-4-chlorophenyl]prop-2-enoic acid
PubChem CID86606867
Molecular FormulaC10H9ClN2O3
Molecular Weight240.65 g/mol
Exact Mass240.03
IUPAC Name2-[2-(carbamoylamino)-4-chlorophenyl]prop-2-enoic acid
SMILESC=C(C(=O)O)c1ccc(Cl)cc1NC(N)=O
InChIInChI=1S/C10H9ClN2O3/c1-5(9(14)15)7-3-2-6(11)4-8(7)13-10(12)16/h2-4H,1H2,(H,14,15)(H3,12,13,16)
InChIKeyJEDLMDLIMCEJDG-UHFFFAOYSA-N
XLogP1.93
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.65
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[2-(carbamoylamino)-4-chlorophenyl]prop-2-enoic 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

N-(5-chloro-2-prop-1-en-2-ylphenyl)acetamide
CID 11229567
(2-bromo-4-chlorophenyl)urea
CID 81003362
2-[2-(carbamoylamino)-4-chlorophenoxy]propanoic acid
CID 67538273
4-chloro-2-[(2-phenylacetyl)amino]benzoic acid
CID 3880553
2-[2-(carbamoylamino)-4-chlorophenoxy]acetamide
CID 141161863
4-chloro-2-(phenylmethoxycarbonylamino)benzoic acid
CID 29299845
4-chloro-2-[(2,4-diamino-4-oxobutanoyl)amino]benzoic acid
CID 61158455
CID 68829952
CID 68829952
N-(2-carbamothioyl-5-chlorophenyl)cyclopropanecarboxamide
CID 64916810
2-(5-chloro-2-fluoroanilino)-2-oxoacetic acid
CID 43444985
1-(carbamoylamino)-3-(2,5-dichlorophenyl)urea
CID 75369271
methyl 2-acetamido-4-chlorobenzoate
CID 2800203

Frequently Asked Questions

What is the IUPAC name of 2-[2-(carbamoylamino)-4-chlorophenyl]prop-2-enoic acid?
The IUPAC name of 2-[2-(carbamoylamino)-4-chlorophenyl]prop-2-enoic acid (CID 86606867) is 2-[2-(carbamoylamino)-4-chlorophenyl]prop-2-enoic acid.
What is the SMILES notation for 2-[2-(carbamoylamino)-4-chlorophenyl]prop-2-enoic acid?
The canonical SMILES for 2-[2-(carbamoylamino)-4-chlorophenyl]prop-2-enoic acid is C=C(C(=O)O)c1ccc(Cl)cc1NC(N)=O.
What is the InChIKey of 2-[2-(carbamoylamino)-4-chlorophenyl]prop-2-enoic acid?
The InChIKey is JEDLMDLIMCEJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O3/c1-5(9(14)15)7-3-2-6(11)4-8(7)13-10(12)16/h2-4H,1H2,(H,14,15)(H3,12,13,16).
What are the key properties of 2-[2-(carbamoylamino)-4-chlorophenyl]prop-2-enoic acid?
2-[2-(carbamoylamino)-4-chlorophenyl]prop-2-enoic acid has a molecular weight of 240.65 g/mol, XLogP of 1.93, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(carbamoylamino)-4-chlorophenyl]prop-2-enoic acid is sourced from PubChem (CID 86606867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).