3-[(2-chlorophenyl)methyl]-1,1-diphenylurea

C20H17ClN2O — CID 134110940

IUPAC3-[(2-chlorophenyl)methyl]-1,1-diphenylurea
SMILESO=C(NCc1ccccc1Cl)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17ClN2O/c21-19-14-8-7-9-16(19)15-22-20(24)23(17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-14H,15H2,(H,22,24)
InChIKeyMXBQVJQOSFKBNX-UHFFFAOYSA-N
MW336.82 g/mol
LogP5.39
Rot. Bonds4

About 3-[(2-chlorophenyl)methyl]-1,1-diphenylurea

3-[(2-chlorophenyl)methyl]-1,1-diphenylurea (PubChem CID 134110940) has the molecular formula C20H17ClN2O and a molecular weight of 336.82 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methyl]-1,1-diphenylurea.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methyl]-1,1-diphenylurea
PubChem CID134110940
Molecular FormulaC20H17ClN2O
Molecular Weight336.82 g/mol
Exact Mass336.10
IUPAC Name3-[(2-chlorophenyl)methyl]-1,1-diphenylurea
SMILESO=C(NCc1ccccc1Cl)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17ClN2O/c21-19-14-8-7-9-16(19)15-22-20(24)23(17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-14H,15H2,(H,22,24)
InChIKeyMXBQVJQOSFKBNX-UHFFFAOYSA-N
XLogP5.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.82
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(2-chlorophenyl)methyl]-1-ethyl-1-phenylurea
CID 108897659
1-benzyl-3-[(2-chlorophenyl)methyl]-1-phenylurea
CID 108897704
2-(2-chlorophenyl)-N,N-diphenylacetamide
CID 54344934
3-[(2-chlorophenyl)methyl]-1,1-bis(prop-2-enyl)urea
CID 108897654
2-(N-acetylanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 113167096
N-benzyl-N'-[(2-chlorophenyl)methyl]propanediamide
CID 108945203
N-[(2-chlorophenyl)methyl]-3-(N-ethylanilino)propanamide
CID 109021380
1-[(2-chlorophenyl)methyl]-3-[[4-(dimethylamino)phenyl]methyl]urea
CID 38949067
2-[(2-chlorophenyl)methylcarbamoyl-(cyclopropylmethyl)amino]acetic acid
CID 43655962
N-[(2-chlorophenyl)methyl]-3-oxo-3-phenylpropanamide
CID 619799
1-[(2-chlorophenyl)methyl]-3-propan-2-ylurea
CID 23548600
3-chloro-N-[(2-chlorophenyl)methyl]propanamide
CID 17126907

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methyl]-1,1-diphenylurea?
The IUPAC name of 3-[(2-chlorophenyl)methyl]-1,1-diphenylurea (CID 134110940) is 3-[(2-chlorophenyl)methyl]-1,1-diphenylurea.
What is the SMILES notation for 3-[(2-chlorophenyl)methyl]-1,1-diphenylurea?
The canonical SMILES for 3-[(2-chlorophenyl)methyl]-1,1-diphenylurea is O=C(NCc1ccccc1Cl)N(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[(2-chlorophenyl)methyl]-1,1-diphenylurea?
The InChIKey is MXBQVJQOSFKBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O/c21-19-14-8-7-9-16(19)15-22-20(24)23(17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-14H,15H2,(H,22,24).
What are the key properties of 3-[(2-chlorophenyl)methyl]-1,1-diphenylurea?
3-[(2-chlorophenyl)methyl]-1,1-diphenylurea has a molecular weight of 336.82 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methyl]-1,1-diphenylurea is sourced from PubChem (CID 134110940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).