[(S)-[5-chloro-2-(methylamino)phenyl]-phenylmethyl]urea

C15H16ClN3O — CID 867520

IUPAC[(S)-[5-chloro-2-(methylamino)phenyl]-phenylmethyl]urea
SMILESCNc1ccc(Cl)cc1[C@@H](NC(N)=O)c1ccccc1
InChIInChI=1S/C15H16ClN3O/c1-18-13-8-7-11(16)9-12(13)14(19-15(17)20)10-5-3-2-4-6-10/h2-9,14,18H,1H3,(H3,17,19,20)/t14-/m0/s1
InChIKeyJLSQVUJEHRETCW-AWEZNQCLSA-N
MW289.77 g/mol
LogP3.14
Rot. Bonds4

About [(S)-[5-chloro-2-(methylamino)phenyl]-phenylmethyl]urea

[(S)-[5-chloro-2-(methylamino)phenyl]-phenylmethyl]urea (PubChem CID 867520) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is [(S)-[5-chloro-2-(methylamino)phenyl]-phenylmethyl]urea.

Molecular Properties

Compound Name[(S)-[5-chloro-2-(methylamino)phenyl]-phenylmethyl]urea
PubChem CID867520
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name[(S)-[5-chloro-2-(methylamino)phenyl]-phenylmethyl]urea
SMILESCNc1ccc(Cl)cc1[C@@H](NC(N)=O)c1ccccc1
InChIInChI=1S/C15H16ClN3O/c1-18-13-8-7-11(16)9-12(13)14(19-15(17)20)10-5-3-2-4-6-10/h2-9,14,18H,1H3,(H3,17,19,20)/t14-/m0/s1
InChIKeyJLSQVUJEHRETCW-AWEZNQCLSA-N
XLogP3.14
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[(S)-(2-chlorophenyl)-phenylmethyl]urea
CID 871468
[(R)-(2-methylphenyl)-phenylmethyl]urea
CID 870913
N-[4-chloro-2-[[(2-hydrazinyl-2-oxoethyl)amino]-phenylmethyl]phenyl]acetamide
CID 3780295
[(S)-(2-iodophenyl)-phenylmethyl]urea
CID 1368454
methyl 2-[[(R)-(2-acetamido-5-chlorophenyl)-phenylmethyl]amino]acetate
CID 788320
4-chloro-N-methyl-2-[(R)-methylamino(naphthalen-1-yl)methyl]aniline
CID 46187257
N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]propanamide
CID 50882557
[furan-2-yl(phenyl)methyl]urea
CID 14906081
N-[4-chloro-2-[(S)-[(2-hydrazinyl-2-oxoethyl)amino]-phenylmethyl]phenyl]benzamide
CID 1162893
N-[4-chloro-2-[(R)-[(2-hydrazinyl-2-oxoethyl)amino]-phenylmethyl]phenyl]benzamide
CID 1162895
[(S)-(4-methoxyphenyl)-phenylmethyl]urea
CID 870966
[(3-fluorophenyl)-phenylmethyl]urea
CID 15151796

Frequently Asked Questions

What is the IUPAC name of [(S)-[5-chloro-2-(methylamino)phenyl]-phenylmethyl]urea?
The IUPAC name of [(S)-[5-chloro-2-(methylamino)phenyl]-phenylmethyl]urea (CID 867520) is [(S)-[5-chloro-2-(methylamino)phenyl]-phenylmethyl]urea.
What is the SMILES notation for [(S)-[5-chloro-2-(methylamino)phenyl]-phenylmethyl]urea?
The canonical SMILES for [(S)-[5-chloro-2-(methylamino)phenyl]-phenylmethyl]urea is CNc1ccc(Cl)cc1[C@@H](NC(N)=O)c1ccccc1.
What is the InChIKey of [(S)-[5-chloro-2-(methylamino)phenyl]-phenylmethyl]urea?
The InChIKey is JLSQVUJEHRETCW-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-18-13-8-7-11(16)9-12(13)14(19-15(17)20)10-5-3-2-4-6-10/h2-9,14,18H,1H3,(H3,17,19,20)/t14-/m0/s1.
What are the key properties of [(S)-[5-chloro-2-(methylamino)phenyl]-phenylmethyl]urea?
[(S)-[5-chloro-2-(methylamino)phenyl]-phenylmethyl]urea has a molecular weight of 289.77 g/mol, XLogP of 3.14, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(S)-[5-chloro-2-(methylamino)phenyl]-phenylmethyl]urea is sourced from PubChem (CID 867520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).