1-[(2-chloro-4-phenylmethoxybenzoyl)amino]-3-phenylurea

C21H18ClN3O3 — CID 3526755

IUPAC1-[(2-chloro-4-phenylmethoxybenzoyl)amino]-3-phenylurea
SMILESO=C(NNC(=O)c1ccc(OCc2ccccc2)cc1Cl)Nc1ccccc1
InChIInChI=1S/C21H18ClN3O3/c22-19-13-17(28-14-15-7-3-1-4-8-15)11-12-18(19)20(26)24-25-21(27)23-16-9-5-2-6-10-16/h1-13H,14H2,(H,24,26)(H2,23,25,27)
InChIKeyXWKPBFWSCZHAIT-UHFFFAOYSA-N
MW395.85 g/mol
LogP4.39
Rot. Bonds5

About 1-[(2-chloro-4-phenylmethoxybenzoyl)amino]-3-phenylurea

1-[(2-chloro-4-phenylmethoxybenzoyl)amino]-3-phenylurea (PubChem CID 3526755) has the molecular formula C21H18ClN3O3 and a molecular weight of 395.85 g/mol. Its IUPAC name is 1-[(2-chloro-4-phenylmethoxybenzoyl)amino]-3-phenylurea.

Molecular Properties

Compound Name1-[(2-chloro-4-phenylmethoxybenzoyl)amino]-3-phenylurea
PubChem CID3526755
Molecular FormulaC21H18ClN3O3
Molecular Weight395.85 g/mol
Exact Mass395.10
IUPAC Name1-[(2-chloro-4-phenylmethoxybenzoyl)amino]-3-phenylurea
SMILESO=C(NNC(=O)c1ccc(OCc2ccccc2)cc1Cl)Nc1ccccc1
InChIInChI=1S/C21H18ClN3O3/c22-19-13-17(28-14-15-7-3-1-4-8-15)11-12-18(19)20(26)24-25-21(27)23-16-9-5-2-6-10-16/h1-13H,14H2,(H,24,26)(H2,23,25,27)
InChIKeyXWKPBFWSCZHAIT-UHFFFAOYSA-N
XLogP4.39
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(2-chloro-4-phenylmethoxybenzoyl)amino]-3-phenylurea 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-chloro-N-(2-chloroethyl)-4-phenylmethoxybenzamide
CID 3826640
1-[(2-chlorobenzoyl)amino]-3-phenylurea
CID 904342
2,4-dichloro-N-[(4-phenylmethoxyphenyl)carbamothioyl]benzamide
CID 2396916
5-bromo-2-chloro-N-(4-phenylmethoxyphenyl)benzamide
CID 2953641
2-(2-chloro-4-phenylmethoxyphenyl)acetic acid
CID 4241746
(2-chloro-4-phenylmethoxyphenyl)methylcarbamic acid
CID 90281986
2-chloro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]carbamoyl]benzamide
CID 20524381
2-chloro-N-[[4-[(4-methylphenyl)methoxy]phenyl]carbamoyl]benzamide
CID 20524462
2-chloro-5-phenylmethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
CID 72710604
N-(3-ethylphenyl)-2,4-bis(phenylmethoxy)benzamide
CID 69249899
N-(3-fluorophenyl)-2,4-bis(phenylmethoxy)benzamide
CID 69250543
4-bromo-2-chloro-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 55832366

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-phenylmethoxybenzoyl)amino]-3-phenylurea?
The IUPAC name of 1-[(2-chloro-4-phenylmethoxybenzoyl)amino]-3-phenylurea (CID 3526755) is 1-[(2-chloro-4-phenylmethoxybenzoyl)amino]-3-phenylurea.
What is the SMILES notation for 1-[(2-chloro-4-phenylmethoxybenzoyl)amino]-3-phenylurea?
The canonical SMILES for 1-[(2-chloro-4-phenylmethoxybenzoyl)amino]-3-phenylurea is O=C(NNC(=O)c1ccc(OCc2ccccc2)cc1Cl)Nc1ccccc1.
What is the InChIKey of 1-[(2-chloro-4-phenylmethoxybenzoyl)amino]-3-phenylurea?
The InChIKey is XWKPBFWSCZHAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O3/c22-19-13-17(28-14-15-7-3-1-4-8-15)11-12-18(19)20(26)24-25-21(27)23-16-9-5-2-6-10-16/h1-13H,14H2,(H,24,26)(H2,23,25,27).
What are the key properties of 1-[(2-chloro-4-phenylmethoxybenzoyl)amino]-3-phenylurea?
1-[(2-chloro-4-phenylmethoxybenzoyl)amino]-3-phenylurea has a molecular weight of 395.85 g/mol, XLogP of 4.39, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-phenylmethoxybenzoyl)amino]-3-phenylurea is sourced from PubChem (CID 3526755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).