1-[[2-(2-chlorophenyl)acetyl]amino]-3-phenylurea

C15H14ClN3O2 — CID 849676

IUPAC1-[[2-(2-chlorophenyl)acetyl]amino]-3-phenylurea
SMILESO=C(Cc1ccccc1Cl)NNC(=O)Nc1ccccc1
InChIInChI=1S/C15H14ClN3O2/c16-13-9-5-4-6-11(13)10-14(20)18-19-15(21)17-12-7-2-1-3-8-12/h1-9H,10H2,(H,18,20)(H2,17,19,21)
InChIKeyIDECEJFYQUKXRC-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.74
Rot. Bonds3

About 1-[[2-(2-chlorophenyl)acetyl]amino]-3-phenylurea

1-[[2-(2-chlorophenyl)acetyl]amino]-3-phenylurea (PubChem CID 849676) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 1-[[2-(2-chlorophenyl)acetyl]amino]-3-phenylurea.

Molecular Properties

Compound Name1-[[2-(2-chlorophenyl)acetyl]amino]-3-phenylurea
PubChem CID849676
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name1-[[2-(2-chlorophenyl)acetyl]amino]-3-phenylurea
SMILESO=C(Cc1ccccc1Cl)NNC(=O)Nc1ccccc1
InChIInChI=1S/C15H14ClN3O2/c16-13-9-5-4-6-11(13)10-14(20)18-19-15(21)17-12-7-2-1-3-8-12/h1-9H,10H2,(H,18,20)(H2,17,19,21)
InChIKeyIDECEJFYQUKXRC-UHFFFAOYSA-N
XLogP2.74
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-phenyl-2-(3-phenylpropanoyl)hydrazinecarboxamide
CID 730631
1-Benzamido-3-(4-chlorophenyl)thiourea
CID 5202474
1-[(2-Chlorobenzoyl)amino]-3-(2-chlorophenyl)thiourea
CID 24819610
N-(4-chlorophenyl)-2-[2-(1-naphthyl)acetyl]-1-hydrazinecarboxamide
CID 2731999
N-{[(3-chlorophenyl)amino]carbonylamino}-3-phenylpropanamide
CID 5238384
N-{[(2-ethylphenyl)amino]carbonylamino}-3-phenylpropanamide
CID 24818633
N-{[N-(3-methylphenyl)carbamoyl]amino}-3-phenylpropanamide
CID 24818639
N-{[(3-chloro-2-methylphenyl)amino]carbonylamino}-3-phenylpropanamide
CID 24819047
N-({[(3-chlorophenyl)amino]thioxomethyl}amino)benzamide
CID 24819125
N-(3-chlorophenyl)-2-(phenylacetyl)hydrazinecarboxamide
CID 841948
N-(3-chlorophenyl)-2-(1-naphthylacetyl)hydrazinecarboxamide
CID 1028288
N-phenyl-2-(phenylacetyl)hydrazinecarbothioamide
CID 722757

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-chlorophenyl)acetyl]amino]-3-phenylurea?
The IUPAC name of 1-[[2-(2-chlorophenyl)acetyl]amino]-3-phenylurea (CID 849676) is 1-[[2-(2-chlorophenyl)acetyl]amino]-3-phenylurea.
What is the SMILES notation for 1-[[2-(2-chlorophenyl)acetyl]amino]-3-phenylurea?
The canonical SMILES for 1-[[2-(2-chlorophenyl)acetyl]amino]-3-phenylurea is O=C(Cc1ccccc1Cl)NNC(=O)Nc1ccccc1.
What is the InChIKey of 1-[[2-(2-chlorophenyl)acetyl]amino]-3-phenylurea?
The InChIKey is IDECEJFYQUKXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c16-13-9-5-4-6-11(13)10-14(20)18-19-15(21)17-12-7-2-1-3-8-12/h1-9H,10H2,(H,18,20)(H2,17,19,21).
What are the key properties of 1-[[2-(2-chlorophenyl)acetyl]amino]-3-phenylurea?
1-[[2-(2-chlorophenyl)acetyl]amino]-3-phenylurea has a molecular weight of 303.75 g/mol, XLogP of 2.74, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-chlorophenyl)acetyl]amino]-3-phenylurea is sourced from PubChem (CID 849676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).