1-[(3-chlorophenyl)methyl]-3-[(2S)-1-hydroxypropan-2-yl]urea

C11H15ClN2O2 — CID 110307002

IUPAC1-[(3-chlorophenyl)methyl]-3-[(2S)-1-hydroxypropan-2-yl]urea
SMILESC[C@@H](CO)NC(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C11H15ClN2O2/c1-8(7-15)14-11(16)13-6-9-3-2-4-10(12)5-9/h2-5,8,15H,6-7H2,1H3,(H2,13,14,16)/t8-/m0/s1
InChIKeyNJDWMZUWLXWVMC-QMMMGPOBSA-N
MW242.71 g/mol
LogP1.52
Rot. Bonds4

About 1-[(3-chlorophenyl)methyl]-3-[(2S)-1-hydroxypropan-2-yl]urea

1-[(3-chlorophenyl)methyl]-3-[(2S)-1-hydroxypropan-2-yl]urea (PubChem CID 110307002) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-3-[(2S)-1-hydroxypropan-2-yl]urea.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-3-[(2S)-1-hydroxypropan-2-yl]urea
PubChem CID110307002
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name1-[(3-chlorophenyl)methyl]-3-[(2S)-1-hydroxypropan-2-yl]urea
SMILESC[C@@H](CO)NC(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C11H15ClN2O2/c1-8(7-15)14-11(16)13-6-9-3-2-4-10(12)5-9/h2-5,8,15H,6-7H2,1H3,(H2,13,14,16)/t8-/m0/s1
InChIKeyNJDWMZUWLXWVMC-QMMMGPOBSA-N
XLogP1.52
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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1-benzyl-3-[(1S)-1-(3-chlorophenyl)ethyl]urea
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1-(1-hydroxypropan-2-yl)-3-(naphthalen-1-ylmethyl)urea
CID 110910304
N-[(3-chlorophenyl)methyl]-2-ethylbutanamide
CID 17071149
1-[(3-chlorophenyl)methyl]-3-(2,6-dichlorophenyl)urea
CID 108898743
N-[(3-chlorophenyl)methyl]-3,3-dimethyl-2-propan-2-ylbutanamide
CID 58124287
3-amino-N-[(3-chlorophenyl)methyl]butanamide;hydrochloride
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1-[(5-chloro-2-methylphenyl)methyl]-3-[(3-chlorophenyl)methyl]urea
CID 42609411

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-3-[(2S)-1-hydroxypropan-2-yl]urea?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-3-[(2S)-1-hydroxypropan-2-yl]urea (CID 110307002) is 1-[(3-chlorophenyl)methyl]-3-[(2S)-1-hydroxypropan-2-yl]urea.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-3-[(2S)-1-hydroxypropan-2-yl]urea?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-3-[(2S)-1-hydroxypropan-2-yl]urea is C[C@@H](CO)NC(=O)NCc1cccc(Cl)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-3-[(2S)-1-hydroxypropan-2-yl]urea?
The InChIKey is NJDWMZUWLXWVMC-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-8(7-15)14-11(16)13-6-9-3-2-4-10(12)5-9/h2-5,8,15H,6-7H2,1H3,(H2,13,14,16)/t8-/m0/s1.
What are the key properties of 1-[(3-chlorophenyl)methyl]-3-[(2S)-1-hydroxypropan-2-yl]urea?
1-[(3-chlorophenyl)methyl]-3-[(2S)-1-hydroxypropan-2-yl]urea has a molecular weight of 242.71 g/mol, XLogP of 1.52, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-3-[(2S)-1-hydroxypropan-2-yl]urea is sourced from PubChem (CID 110307002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).