[(S)-(2-chlorophenyl)-phenylmethyl]urea

C14H13ClN2O — CID 871468

IUPAC[(S)-(2-chlorophenyl)-phenylmethyl]urea
SMILESNC(=O)N[C@@H](c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C14H13ClN2O/c15-12-9-5-4-8-11(12)13(17-14(16)18)10-6-2-1-3-7-10/h1-9,13H,(H3,16,17,18)/t13-/m0/s1
InChIKeyCUSODORKHKDFPG-ZDUSSCGKSA-N
MW260.72 g/mol
LogP3.10
Rot. Bonds3

About [(S)-(2-chlorophenyl)-phenylmethyl]urea

[(S)-(2-chlorophenyl)-phenylmethyl]urea (PubChem CID 871468) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is [(S)-(2-chlorophenyl)-phenylmethyl]urea.

Molecular Properties

Compound Name[(S)-(2-chlorophenyl)-phenylmethyl]urea
PubChem CID871468
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC Name[(S)-(2-chlorophenyl)-phenylmethyl]urea
SMILESNC(=O)N[C@@H](c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C14H13ClN2O/c15-12-9-5-4-8-11(12)13(17-14(16)18)10-6-2-1-3-7-10/h1-9,13H,(H3,16,17,18)/t13-/m0/s1
InChIKeyCUSODORKHKDFPG-ZDUSSCGKSA-N
XLogP3.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[(S)-(2-iodophenyl)-phenylmethyl]urea
CID 1368454
[(R)-(2-methylphenyl)-phenylmethyl]urea
CID 870913
[(S)-[5-chloro-2-(methylamino)phenyl]-phenylmethyl]urea
CID 867520
[(3-fluorophenyl)-phenylmethyl]urea
CID 15151796
[(R)-1-benzofuran-3-yl(phenyl)methyl]urea
CID 871475
[furan-2-yl(phenyl)methyl]urea
CID 14906081
[(S)-(4-methoxyphenyl)-phenylmethyl]urea
CID 870966
N-benzhydryl-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 9306893
2-amino-N-[(2-chlorophenyl)-(3-chlorophenyl)methyl]-2-cyclopropylacetamide
CID 166343225
3-(2-chlorophenyl)butanoic acid
CID 54775987
(2R)-2-(2-chlorophenyl)-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]acetic acid
CID 107316028
3-amino-N-[(1R)-1-(2-chlorophenyl)ethyl]-3-phenylpropanamide
CID 81375536

Frequently Asked Questions

What is the IUPAC name of [(S)-(2-chlorophenyl)-phenylmethyl]urea?
The IUPAC name of [(S)-(2-chlorophenyl)-phenylmethyl]urea (CID 871468) is [(S)-(2-chlorophenyl)-phenylmethyl]urea.
What is the SMILES notation for [(S)-(2-chlorophenyl)-phenylmethyl]urea?
The canonical SMILES for [(S)-(2-chlorophenyl)-phenylmethyl]urea is NC(=O)N[C@@H](c1ccccc1)c1ccccc1Cl.
What is the InChIKey of [(S)-(2-chlorophenyl)-phenylmethyl]urea?
The InChIKey is CUSODORKHKDFPG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H13ClN2O/c15-12-9-5-4-8-11(12)13(17-14(16)18)10-6-2-1-3-7-10/h1-9,13H,(H3,16,17,18)/t13-/m0/s1.
What are the key properties of [(S)-(2-chlorophenyl)-phenylmethyl]urea?
[(S)-(2-chlorophenyl)-phenylmethyl]urea has a molecular weight of 260.72 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(S)-(2-chlorophenyl)-phenylmethyl]urea is sourced from PubChem (CID 871468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).