1-(4-chlorophenyl)-3-[(1S,2R)-2-methylcyclohexyl]urea

C14H19ClN2O — CID 40784836

IUPAC1-(4-chlorophenyl)-3-[(1S,2R)-2-methylcyclohexyl]urea
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O/c1-10-4-2-3-5-13(10)17-14(18)16-12-8-6-11(15)7-9-12/h6-10,13H,2-5H2,1H3,(H2,16,17,18)/t10-,13+/m1/s1
InChIKeyLKZWRUZYBPNTJC-MFKMUULPSA-N
MW266.77 g/mol
LogP4.04
Rot. Bonds2

About 1-(4-chlorophenyl)-3-[(1S,2R)-2-methylcyclohexyl]urea

1-(4-chlorophenyl)-3-[(1S,2R)-2-methylcyclohexyl]urea (PubChem CID 40784836) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(1S,2R)-2-methylcyclohexyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(1S,2R)-2-methylcyclohexyl]urea
PubChem CID40784836
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name1-(4-chlorophenyl)-3-[(1S,2R)-2-methylcyclohexyl]urea
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O/c1-10-4-2-3-5-13(10)17-14(18)16-12-8-6-11(15)7-9-12/h6-10,13H,2-5H2,1H3,(H2,16,17,18)/t10-,13+/m1/s1
InChIKeyLKZWRUZYBPNTJC-MFKMUULPSA-N
XLogP4.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(2-methylcyclohexyl)carbamoylamino]benzoic acid
CID 61191186
1-(4-aminophenyl)-3-(2-methylcyclopentyl)urea
CID 63279412
1-(4-chlorophenyl)-3-[(1R,2R)-2-hydroxycyclopentyl]urea
CID 40546318
2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 9403960
1-(4-chlorophenyl)-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 103716143
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 9167461
2-fluoro-5-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]benzamide
CID 94059666
1-[(4-chlorophenyl)methyl]-3-(2-methylcyclohexyl)urea
CID 47133576
1-(4-chlorophenyl)-3-cyclododecylurea
CID 19165021
1-(2,3-dihydro-1H-inden-5-yl)-3-[(1R,2S)-2-methylcyclohexyl]urea
CID 29056445
1-(2,3-dihydro-1H-inden-5-yl)-3-[(1R,2R)-2-methylcyclohexyl]urea
CID 29056444
1-(2-methylcyclohexyl)-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea
CID 60545836

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(1S,2R)-2-methylcyclohexyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(1S,2R)-2-methylcyclohexyl]urea (CID 40784836) is 1-(4-chlorophenyl)-3-[(1S,2R)-2-methylcyclohexyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(1S,2R)-2-methylcyclohexyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(1S,2R)-2-methylcyclohexyl]urea is C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(1S,2R)-2-methylcyclohexyl]urea?
The InChIKey is LKZWRUZYBPNTJC-MFKMUULPSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-10-4-2-3-5-13(10)17-14(18)16-12-8-6-11(15)7-9-12/h6-10,13H,2-5H2,1H3,(H2,16,17,18)/t10-,13+/m1/s1.
What are the key properties of 1-(4-chlorophenyl)-3-[(1S,2R)-2-methylcyclohexyl]urea?
1-(4-chlorophenyl)-3-[(1S,2R)-2-methylcyclohexyl]urea has a molecular weight of 266.77 g/mol, XLogP of 4.04, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(1S,2R)-2-methylcyclohexyl]urea is sourced from PubChem (CID 40784836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).