1-(4-chloro-2-methylphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea

C17H19ClN2O2 — CID 111452600

IUPAC1-(4-chloro-2-methylphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
SMILESCc1cc(Cl)ccc1NC(=O)N[C@H](CCO)c1ccccc1
InChIInChI=1S/C17H19ClN2O2/c1-12-11-14(18)7-8-15(12)19-17(22)20-16(9-10-21)13-5-3-2-4-6-13/h2-8,11,16,21H,9-10H2,1H3,(H2,19,20,22)/t16-/m1/s1
InChIKeyQUSRPCGOIMDRIB-MRXNPFEDSA-N
MW318.80 g/mol
LogP3.89
Rot. Bonds5

About 1-(4-chloro-2-methylphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea

1-(4-chloro-2-methylphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea (PubChem CID 111452600) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 1-(4-chloro-2-methylphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea.

Molecular Properties

Compound Name1-(4-chloro-2-methylphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
PubChem CID111452600
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name1-(4-chloro-2-methylphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
SMILESCc1cc(Cl)ccc1NC(=O)N[C@H](CCO)c1ccccc1
InChIInChI=1S/C17H19ClN2O2/c1-12-11-14(18)7-8-15(12)19-17(22)20-16(9-10-21)13-5-3-2-4-6-13/h2-8,11,16,21H,9-10H2,1H3,(H2,19,20,22)/t16-/m1/s1
InChIKeyQUSRPCGOIMDRIB-MRXNPFEDSA-N
XLogP3.89
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-fluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111452677
1-(2,4-dimethylphenyl)-3-[(1R)-1-phenylpropyl]urea
CID 40629630
1-(4-chloro-2-methylphenyl)-3-propan-2-ylurea
CID 5199743
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(4-methylphenyl)urea
CID 111450296
[1-(3-chlorophenyl)-3-hydroxypropyl]carbamic acid
CID 71254796
1-(4-chloro-2-methylphenyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111452596
1-(4-chloro-2-methylphenyl)-3-(2-methylphenyl)urea
CID 108894172
1-[1-(4-chlorophenyl)propyl]-3-(2,4-dimethylphenyl)urea
CID 17181991
1-(4-ethoxy-3-methylphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111453275
1-(3-bromophenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111452513
2-[(5-chloro-2-methylphenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 61243704
1-(2,4-difluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111450259

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methylphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea?
The IUPAC name of 1-(4-chloro-2-methylphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea (CID 111452600) is 1-(4-chloro-2-methylphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea.
What is the SMILES notation for 1-(4-chloro-2-methylphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea?
The canonical SMILES for 1-(4-chloro-2-methylphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea is Cc1cc(Cl)ccc1NC(=O)N[C@H](CCO)c1ccccc1.
What is the InChIKey of 1-(4-chloro-2-methylphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea?
The InChIKey is QUSRPCGOIMDRIB-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-12-11-14(18)7-8-15(12)19-17(22)20-16(9-10-21)13-5-3-2-4-6-13/h2-8,11,16,21H,9-10H2,1H3,(H2,19,20,22)/t16-/m1/s1.
What are the key properties of 1-(4-chloro-2-methylphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea?
1-(4-chloro-2-methylphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea has a molecular weight of 318.80 g/mol, XLogP of 3.89, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methylphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea is sourced from PubChem (CID 111452600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).