1-[(4-chlorophenyl)methyl]-3-[(1S,3R)-3-hydroxycyclohexyl]urea

C14H19ClN2O2 — CID 95983968

IUPAC1-[(4-chlorophenyl)methyl]-3-[(1S,3R)-3-hydroxycyclohexyl]urea
SMILESO=C(NCc1ccc(Cl)cc1)N[C@H]1CCC[C@@H](O)C1
InChIInChI=1S/C14H19ClN2O2/c15-11-6-4-10(5-7-11)9-16-14(19)17-12-2-1-3-13(18)8-12/h4-7,12-13,18H,1-3,8-9H2,(H2,16,17,19)/t12-,13+/m0/s1
InChIKeyVGPJNVUKQVWYFI-QWHCGFSZSA-N
MW282.77 g/mol
LogP2.44
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-3-[(1S,3R)-3-hydroxycyclohexyl]urea

1-[(4-chlorophenyl)methyl]-3-[(1S,3R)-3-hydroxycyclohexyl]urea (PubChem CID 95983968) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-[(1S,3R)-3-hydroxycyclohexyl]urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-[(1S,3R)-3-hydroxycyclohexyl]urea
PubChem CID95983968
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name1-[(4-chlorophenyl)methyl]-3-[(1S,3R)-3-hydroxycyclohexyl]urea
SMILESO=C(NCc1ccc(Cl)cc1)N[C@H]1CCC[C@@H](O)C1
InChIInChI=1S/C14H19ClN2O2/c15-11-6-4-10(5-7-11)9-16-14(19)17-12-2-1-3-13(18)8-12/h4-7,12-13,18H,1-3,8-9H2,(H2,16,17,19)/t12-,13+/m0/s1
InChIKeyVGPJNVUKQVWYFI-QWHCGFSZSA-N
XLogP2.44
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dichlorobenzyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 24748436
3-[(1S)-1-(4-chlorophenyl)ethyl]-9-hydroxy-1,3-diazaspiro[5.5]undecan-2-one
CID 56595806
N-[(4-chlorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 84528802
1-(4-Chlorobenzyl)-3-(2-hydroxy-3-phenylpropyl)urea
CID 56765325
1-(4-Chlorobenzyl)-3-(3-hydroxy-4,4-dimethylpentyl)urea
CID 71787653
1-(4-Fluorobenzyl)-3-(3-hydroxycyclohexyl)urea
CID 71786238
3-[(2-chloro-4-fluorophenyl)methyl]-1-[(2S)-6-hydroxyhexan-2-yl]-1-methylurea
CID 123377683
3-[(2-Chloro-4-fluorophenyl)methyl]-1-(6-hydroxyhexan-2-yl)-1-methylurea
CID 123687023
4-(4-Chlorophenyl)-5-(hydroxymethyl)-6-[(e)-2-(4methylphenyl)ethenyl]-3,4-dihydropyrimidin-2(1h)-one
CID 175672912
3-[(2-Chloro-6-fluorophenyl)methylamino]cyclohexan-1-ol
CID 43751333
1-[1-(3-Chloro-4-fluorophenyl)ethyl]-3-(4-hydroxycyclohexyl)urea
CID 53512441
1-[(3-Chloro-4-fluorophenyl)methyl]-3-(4-hydroxycyclohexyl)urea
CID 53559772

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[(1S,3R)-3-hydroxycyclohexyl]urea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[(1S,3R)-3-hydroxycyclohexyl]urea (CID 95983968) is 1-[(4-chlorophenyl)methyl]-3-[(1S,3R)-3-hydroxycyclohexyl]urea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-[(1S,3R)-3-hydroxycyclohexyl]urea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-[(1S,3R)-3-hydroxycyclohexyl]urea is O=C(NCc1ccc(Cl)cc1)N[C@H]1CCC[C@@H](O)C1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-[(1S,3R)-3-hydroxycyclohexyl]urea?
The InChIKey is VGPJNVUKQVWYFI-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c15-11-6-4-10(5-7-11)9-16-14(19)17-12-2-1-3-13(18)8-12/h4-7,12-13,18H,1-3,8-9H2,(H2,16,17,19)/t12-,13+/m0/s1.
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-[(1S,3R)-3-hydroxycyclohexyl]urea?
1-[(4-chlorophenyl)methyl]-3-[(1S,3R)-3-hydroxycyclohexyl]urea has a molecular weight of 282.77 g/mol, XLogP of 2.44, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-[(1S,3R)-3-hydroxycyclohexyl]urea is sourced from PubChem (CID 95983968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).