1-(1-chloropropan-2-yl)-3-(4-cyclohexylphenyl)urea

C16H23ClN2O — CID 20617044

IUPAC1-(1-chloropropan-2-yl)-3-(4-cyclohexylphenyl)urea
SMILESCC(CCl)NC(=O)Nc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C16H23ClN2O/c1-12(11-17)18-16(20)19-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h7-10,12-13H,2-6,11H2,1H3,(H2,18,19,20)
InChIKeyMRKMEQAGXZBTIR-UHFFFAOYSA-N
MW294.83 g/mol
LogP4.48
Rot. Bonds4

About 1-(1-chloropropan-2-yl)-3-(4-cyclohexylphenyl)urea

1-(1-chloropropan-2-yl)-3-(4-cyclohexylphenyl)urea (PubChem CID 20617044) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 1-(1-chloropropan-2-yl)-3-(4-cyclohexylphenyl)urea.

Molecular Properties

Compound Name1-(1-chloropropan-2-yl)-3-(4-cyclohexylphenyl)urea
PubChem CID20617044
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name1-(1-chloropropan-2-yl)-3-(4-cyclohexylphenyl)urea
SMILESCC(CCl)NC(=O)Nc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C16H23ClN2O/c1-12(11-17)18-16(20)19-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h7-10,12-13H,2-6,11H2,1H3,(H2,18,19,20)
InChIKeyMRKMEQAGXZBTIR-UHFFFAOYSA-N
XLogP4.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(4-tert-butylphenyl)-3-[(2R)-1-chloropropan-2-yl]urea
CID 11380177
1-cyclohexyl-3-(4-cyclopentylphenyl)urea
CID 170179753
(4-cyclopentylphenyl)urea
CID 130193151
1-[(2R)-1-chloropropan-2-yl]-3-(4-heptylphenyl)urea
CID 12985368
1-[4-[(4-cyclopentylphenyl)methylsulfonyl]phenyl]-3-[(1S)-1-phenylethyl]urea
CID 161354866
2-[(4-chlorophenyl)carbamoylamino]-N-cyclopentylpropanamide
CID 47075783
1-(4-cyclohexylphenyl)-3-(2-fluorophenyl)urea
CID 143736831
2-(4-cyclohexylphenyl)-2-oxo-N-propan-2-ylacetamide
CID 94282738
N-(4-cyclohexylphenyl)benzamide
CID 10333838
N-(4-cyclohexylphenyl)-2-(2,2-dimethoxyethylamino)acetamide
CID 22447984
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-cyclohexylbenzoate
CID 8538390
1-(4-cyclohexylphenyl)-3-(2-phenylethyl)urea;formic acid
CID 143736806

Frequently Asked Questions

What is the IUPAC name of 1-(1-chloropropan-2-yl)-3-(4-cyclohexylphenyl)urea?
The IUPAC name of 1-(1-chloropropan-2-yl)-3-(4-cyclohexylphenyl)urea (CID 20617044) is 1-(1-chloropropan-2-yl)-3-(4-cyclohexylphenyl)urea.
What is the SMILES notation for 1-(1-chloropropan-2-yl)-3-(4-cyclohexylphenyl)urea?
The canonical SMILES for 1-(1-chloropropan-2-yl)-3-(4-cyclohexylphenyl)urea is CC(CCl)NC(=O)Nc1ccc(C2CCCCC2)cc1.
What is the InChIKey of 1-(1-chloropropan-2-yl)-3-(4-cyclohexylphenyl)urea?
The InChIKey is MRKMEQAGXZBTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-12(11-17)18-16(20)19-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h7-10,12-13H,2-6,11H2,1H3,(H2,18,19,20).
What are the key properties of 1-(1-chloropropan-2-yl)-3-(4-cyclohexylphenyl)urea?
1-(1-chloropropan-2-yl)-3-(4-cyclohexylphenyl)urea has a molecular weight of 294.83 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloropropan-2-yl)-3-(4-cyclohexylphenyl)urea is sourced from PubChem (CID 20617044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).