1-(4-chlorophenyl)-1-(cyclohexanecarbonylamino)urea

C14H18ClN3O2 — CID 22306438

IUPAC1-(4-chlorophenyl)-1-(cyclohexanecarbonylamino)urea
SMILESNC(=O)N(NC(=O)C1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClN3O2/c15-11-6-8-12(9-7-11)18(14(16)20)17-13(19)10-4-2-1-3-5-10/h6-10H,1-5H2,(H2,16,20)(H,17,19)
InChIKeyNZGJGHBINNRTDF-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.84
Rot. Bonds2

About 1-(4-chlorophenyl)-1-(cyclohexanecarbonylamino)urea

1-(4-chlorophenyl)-1-(cyclohexanecarbonylamino)urea (PubChem CID 22306438) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-(cyclohexanecarbonylamino)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-(cyclohexanecarbonylamino)urea
PubChem CID22306438
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name1-(4-chlorophenyl)-1-(cyclohexanecarbonylamino)urea
SMILESNC(=O)N(NC(=O)C1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClN3O2/c15-11-6-8-12(9-7-11)18(14(16)20)17-13(19)10-4-2-1-3-5-10/h6-10H,1-5H2,(H2,16,20)(H,17,19)
InChIKeyNZGJGHBINNRTDF-UHFFFAOYSA-N
XLogP2.84
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-2-(cyclopropylcarbonyl)hydrazinecarboxamide
CID 831821
N-{[(3-chlorophenyl)amino]carbonylamino}-3-phenylpropanamide
CID 5238384
N-{[(3-chloro-2-methylphenyl)amino]carbonylamino}-3-phenylpropanamide
CID 24819047
N-(3-chlorophenyl)-2-(phenylacetyl)hydrazinecarboxamide
CID 841948
N-(((4-chlorophenyl)carbamothioyl)amino)-2-phenylacetamide
CID 848934
1-Acetyl-4-(4-CL phenyl) semicarbazide
CID 86934
N-(3,4-dichlorophenyl)-2-(phenylacetyl)hydrazinecarboxamide
CID 1581164
N-(3-chlorophenyl)-2-[(2-phenylcyclopropyl)carbonyl]hydrazinecarboxamide
CID 2838470
2-[4-(benzylamino)-4-oxobutanoyl]-N-(4-chlorophenyl)hydrazinecarboxamide
CID 3638630
1-[Tert-butyl-[(3,5-dimethylphenyl)-oxomethyl]amino]-3-(4-chlorophenyl)urea
CID 989653
2-benzoyl-2-tert-butyl-N-(4-chlorophenyl)hydrazinecarboxamide
CID 848609
2-[(2-chlorophenyl)acetyl]-N-phenylhydrazinecarboxamide
CID 849676

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-(cyclohexanecarbonylamino)urea?
The IUPAC name of 1-(4-chlorophenyl)-1-(cyclohexanecarbonylamino)urea (CID 22306438) is 1-(4-chlorophenyl)-1-(cyclohexanecarbonylamino)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-1-(cyclohexanecarbonylamino)urea?
The canonical SMILES for 1-(4-chlorophenyl)-1-(cyclohexanecarbonylamino)urea is NC(=O)N(NC(=O)C1CCCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-1-(cyclohexanecarbonylamino)urea?
The InChIKey is NZGJGHBINNRTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c15-11-6-8-12(9-7-11)18(14(16)20)17-13(19)10-4-2-1-3-5-10/h6-10H,1-5H2,(H2,16,20)(H,17,19).
What are the key properties of 1-(4-chlorophenyl)-1-(cyclohexanecarbonylamino)urea?
1-(4-chlorophenyl)-1-(cyclohexanecarbonylamino)urea has a molecular weight of 295.77 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-(cyclohexanecarbonylamino)urea is sourced from PubChem (CID 22306438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).