1-[(2,4-dichlorobenzoyl)amino]-3-(2,4-difluorophenyl)urea

C14H9Cl2F2N3O2 — CID 3637073

IUPAC1-[(2,4-dichlorobenzoyl)amino]-3-(2,4-difluorophenyl)urea
SMILESO=C(NNC(=O)c1ccc(Cl)cc1Cl)Nc1ccc(F)cc1F
InChIInChI=1S/C14H9Cl2F2N3O2/c15-7-1-3-9(10(16)5-7)13(22)20-21-14(23)19-12-4-2-8(17)6-11(12)18/h1-6H,(H,20,22)(H2,19,21,23)
InChIKeyJTPCZBJZAMJCDY-UHFFFAOYSA-N
MW360.15 g/mol
LogP3.74
Rot. Bonds2

About 1-[(2,4-dichlorobenzoyl)amino]-3-(2,4-difluorophenyl)urea

1-[(2,4-dichlorobenzoyl)amino]-3-(2,4-difluorophenyl)urea (PubChem CID 3637073) has the molecular formula C14H9Cl2F2N3O2 and a molecular weight of 360.15 g/mol. Its IUPAC name is 1-[(2,4-dichlorobenzoyl)amino]-3-(2,4-difluorophenyl)urea.

Molecular Properties

Compound Name1-[(2,4-dichlorobenzoyl)amino]-3-(2,4-difluorophenyl)urea
PubChem CID3637073
Molecular FormulaC14H9Cl2F2N3O2
Molecular Weight360.15 g/mol
Exact Mass359.00
IUPAC Name1-[(2,4-dichlorobenzoyl)amino]-3-(2,4-difluorophenyl)urea
SMILESO=C(NNC(=O)c1ccc(Cl)cc1Cl)Nc1ccc(F)cc1F
InChIInChI=1S/C14H9Cl2F2N3O2/c15-7-1-3-9(10(16)5-7)13(22)20-21-14(23)19-12-4-2-8(17)6-11(12)18/h1-6H,(H,20,22)(H2,19,21,23)
InChIKeyJTPCZBJZAMJCDY-UHFFFAOYSA-N
XLogP3.74
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.15
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[(2,4-dichlorobenzoyl)amino]-3-(2,4-difluorophenyl)urea 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

1-Benzamido-3-(4-chlorophenyl)thiourea
CID 5202474
1-[(2-Chlorobenzoyl)amino]-3-(2-chlorophenyl)thiourea
CID 24819610
2,4-Dichlorobenzanilide
CID 347066
N-({[(3-chlorophenyl)amino]thioxomethyl}amino)benzamide
CID 24819125
N-(3-chlorophenyl)-2-(phenylacetyl)hydrazinecarboxamide
CID 841948
2,6-dichloro-N-(((4-chlorophenyl)amino)carbonyl)benzamide
CID 92300
2-tert-butyl-2-(2-chlorobenzoyl)-N-phenylhydrazinecarboxamide
CID 682785
1-[[(2-Chlorophenyl)-oxomethyl]amino]-3-[3-(trifluoromethyl)phenyl]thiourea
CID 1926033
2-(2-chlorobenzoyl)-N-(2-ethylphenyl)hydrazinecarbothioamide
CID 2207717
1-[(3-Chlorobenzoyl)amino]-3-[3-(trifluoromethyl)phenyl]thiourea
CID 3448973
N-({[(2-chlorophenyl)amino]thioxomethyl}amino)benzamide
CID 24818524
1-[(3-Chlorobenzoyl)amino]-3-(2,5-difluorophenyl)thiourea
CID 51032085

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorobenzoyl)amino]-3-(2,4-difluorophenyl)urea?
The IUPAC name of 1-[(2,4-dichlorobenzoyl)amino]-3-(2,4-difluorophenyl)urea (CID 3637073) is 1-[(2,4-dichlorobenzoyl)amino]-3-(2,4-difluorophenyl)urea.
What is the SMILES notation for 1-[(2,4-dichlorobenzoyl)amino]-3-(2,4-difluorophenyl)urea?
The canonical SMILES for 1-[(2,4-dichlorobenzoyl)amino]-3-(2,4-difluorophenyl)urea is O=C(NNC(=O)c1ccc(Cl)cc1Cl)Nc1ccc(F)cc1F.
What is the InChIKey of 1-[(2,4-dichlorobenzoyl)amino]-3-(2,4-difluorophenyl)urea?
The InChIKey is JTPCZBJZAMJCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2F2N3O2/c15-7-1-3-9(10(16)5-7)13(22)20-21-14(23)19-12-4-2-8(17)6-11(12)18/h1-6H,(H,20,22)(H2,19,21,23).
What are the key properties of 1-[(2,4-dichlorobenzoyl)amino]-3-(2,4-difluorophenyl)urea?
1-[(2,4-dichlorobenzoyl)amino]-3-(2,4-difluorophenyl)urea has a molecular weight of 360.15 g/mol, XLogP of 3.74, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorobenzoyl)amino]-3-(2,4-difluorophenyl)urea is sourced from PubChem (CID 3637073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).