1-benzhydryl-3-(2-chlorophenyl)urea

C20H17ClN2O — CID 108867386

IUPAC1-benzhydryl-3-(2-chlorophenyl)urea
SMILESO=C(Nc1ccccc1Cl)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17ClN2O/c21-17-13-7-8-14-18(17)22-20(24)23-19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19H,(H2,22,23,24)
InChIKeyAWAUDUUGUJIDIM-UHFFFAOYSA-N
MW336.82 g/mol
LogP5.25
Rot. Bonds4

About 1-benzhydryl-3-(2-chlorophenyl)urea

1-benzhydryl-3-(2-chlorophenyl)urea (PubChem CID 108867386) has the molecular formula C20H17ClN2O and a molecular weight of 336.82 g/mol. Its IUPAC name is 1-benzhydryl-3-(2-chlorophenyl)urea.

Molecular Properties

Compound Name1-benzhydryl-3-(2-chlorophenyl)urea
PubChem CID108867386
Molecular FormulaC20H17ClN2O
Molecular Weight336.82 g/mol
Exact Mass336.10
IUPAC Name1-benzhydryl-3-(2-chlorophenyl)urea
SMILESO=C(Nc1ccccc1Cl)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17ClN2O/c21-17-13-7-8-14-18(17)22-20(24)23-19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19H,(H2,22,23,24)
InChIKeyAWAUDUUGUJIDIM-UHFFFAOYSA-N
XLogP5.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.82
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-[(2-chlorophenyl)carbamoylamino]-2-phenylacetic acid
CID 104897065
1-(2-chlorophenyl)-3-[phenyl(pyridin-2-yl)methyl]urea
CID 51168657
1-[(4-chlorophenyl)-phenylmethyl]-3-(2-fluorophenyl)urea
CID 45352104
2-[(2-chlorophenyl)carbamoylamino]propanoic acid
CID 3838662
1-benzhydryl-3-(5-chloro-2-hydroxyphenyl)urea
CID 108867456
1-(2-chlorophenyl)-3-[(1S)-2,2,2-trichloro-1-hydroxyethyl]urea
CID 163171091
N-(2-chlorophenyl)-2-phenylpropanamide
CID 70678301
1-(2-chlorophenyl)-3-pentan-3-ylurea
CID 47103627
N-(2-chlorophenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 2904145
1-(2-chlorophenyl)-3-[1-(4-chlorophenyl)ethyl]urea
CID 17182401
1-(2-amino-2-phenylethyl)-3-(2-chlorophenyl)urea
CID 63120342
(2S)-N-benzhydryl-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]propanamide
CID 27220919

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-(2-chlorophenyl)urea?
The IUPAC name of 1-benzhydryl-3-(2-chlorophenyl)urea (CID 108867386) is 1-benzhydryl-3-(2-chlorophenyl)urea.
What is the SMILES notation for 1-benzhydryl-3-(2-chlorophenyl)urea?
The canonical SMILES for 1-benzhydryl-3-(2-chlorophenyl)urea is O=C(Nc1ccccc1Cl)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydryl-3-(2-chlorophenyl)urea?
The InChIKey is AWAUDUUGUJIDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O/c21-17-13-7-8-14-18(17)22-20(24)23-19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19H,(H2,22,23,24).
What are the key properties of 1-benzhydryl-3-(2-chlorophenyl)urea?
1-benzhydryl-3-(2-chlorophenyl)urea has a molecular weight of 336.82 g/mol, XLogP of 5.25, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-(2-chlorophenyl)urea is sourced from PubChem (CID 108867386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).