1-[(4-chlorophenyl)-phenylmethyl]-3-(2-fluorophenyl)urea

C20H16ClFN2O — CID 45352104

IUPAC1-[(4-chlorophenyl)-phenylmethyl]-3-(2-fluorophenyl)urea
SMILESO=C(Nc1ccccc1F)NC(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H16ClFN2O/c21-16-12-10-15(11-13-16)19(14-6-2-1-3-7-14)24-20(25)23-18-9-5-4-8-17(18)22/h1-13,19H,(H2,23,24,25)
InChIKeyWHALENUBLVVXEH-UHFFFAOYSA-N
MW354.81 g/mol
LogP5.39
Rot. Bonds4

About 1-[(4-chlorophenyl)-phenylmethyl]-3-(2-fluorophenyl)urea

1-[(4-chlorophenyl)-phenylmethyl]-3-(2-fluorophenyl)urea (PubChem CID 45352104) has the molecular formula C20H16ClFN2O and a molecular weight of 354.81 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)-phenylmethyl]-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)-phenylmethyl]-3-(2-fluorophenyl)urea
PubChem CID45352104
Molecular FormulaC20H16ClFN2O
Molecular Weight354.81 g/mol
Exact Mass354.09
IUPAC Name1-[(4-chlorophenyl)-phenylmethyl]-3-(2-fluorophenyl)urea
SMILESO=C(Nc1ccccc1F)NC(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H16ClFN2O/c21-16-12-10-15(11-13-16)19(14-6-2-1-3-7-14)24-20(25)23-18-9-5-4-8-17(18)22/h1-13,19H,(H2,23,24,25)
InChIKeyWHALENUBLVVXEH-UHFFFAOYSA-N
XLogP5.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.81
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-[(4-chlorophenyl)-phenylmethyl]-3-(2-fluorophenyl)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-benzhydryl-3-(2-chlorophenyl)urea
CID 108867386
1-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-fluorophenyl)urea
CID 41430470
1-(2-fluorophenyl)-3-[(1S)-1-phenylethyl]urea
CID 6995379
1-benzhydryl-3-(5-chloro-2-hydroxyphenyl)urea
CID 108867456
1-[(R)-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-(2-fluorophenyl)urea
CID 28997128
1-(2-fluorophenyl)-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 103765021
N-[2-(benzhydrylamino)-1-(4-chlorophenyl)-2-oxoethyl]-2-fluorobenzamide
CID 5184696
2-[(4-chlorophenyl)carbamoylamino]-N-(2-fluorophenyl)propanamide
CID 110407940
N-[(R)-(4-chlorophenyl)-phenylmethyl]-2,2-dimethylpropanamide
CID 134948149
1-(2-chlorophenyl)-3-[1-(4-chlorophenyl)ethyl]urea
CID 17182401
N-(2-fluorophenyl)-2-hydroxy-2-phenylacetamide
CID 82130440
2-(4-chlorophenyl)-2-(2-fluoroanilino)acetic acid
CID 2757785

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)-phenylmethyl]-3-(2-fluorophenyl)urea?
The IUPAC name of 1-[(4-chlorophenyl)-phenylmethyl]-3-(2-fluorophenyl)urea (CID 45352104) is 1-[(4-chlorophenyl)-phenylmethyl]-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-[(4-chlorophenyl)-phenylmethyl]-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-[(4-chlorophenyl)-phenylmethyl]-3-(2-fluorophenyl)urea is O=C(Nc1ccccc1F)NC(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)-phenylmethyl]-3-(2-fluorophenyl)urea?
The InChIKey is WHALENUBLVVXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN2O/c21-16-12-10-15(11-13-16)19(14-6-2-1-3-7-14)24-20(25)23-18-9-5-4-8-17(18)22/h1-13,19H,(H2,23,24,25).
What are the key properties of 1-[(4-chlorophenyl)-phenylmethyl]-3-(2-fluorophenyl)urea?
1-[(4-chlorophenyl)-phenylmethyl]-3-(2-fluorophenyl)urea has a molecular weight of 354.81 g/mol, XLogP of 5.39, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)-phenylmethyl]-3-(2-fluorophenyl)urea is sourced from PubChem (CID 45352104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).