N-[3-[(4-chlorophenyl)carbamoylamino]propyl]-N-phenylcyclohexanecarboxamide

C23H28ClN3O2 — CID 42705713

IUPACN-[3-[(4-chlorophenyl)carbamoylamino]propyl]-N-phenylcyclohexanecarboxamide
SMILESO=C(NCCCN(C(=O)C1CCCCC1)c1ccccc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C23H28ClN3O2/c24-19-12-14-20(15-13-19)26-23(29)25-16-7-17-27(21-10-5-2-6-11-21)22(28)18-8-3-1-4-9-18/h2,5-6,10-15,18H,1,3-4,7-9,16-17H2,(H2,25,26,29)
InChIKeyXKIMRMUPYHLDCO-UHFFFAOYSA-N
MW413.95 g/mol
LogP5.47
Rot. Bonds7

About N-[3-[(4-chlorophenyl)carbamoylamino]propyl]-N-phenylcyclohexanecarboxamide

N-[3-[(4-chlorophenyl)carbamoylamino]propyl]-N-phenylcyclohexanecarboxamide (PubChem CID 42705713) has the molecular formula C23H28ClN3O2 and a molecular weight of 413.95 g/mol. Its IUPAC name is N-[3-[(4-chlorophenyl)carbamoylamino]propyl]-N-phenylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-[(4-chlorophenyl)carbamoylamino]propyl]-N-phenylcyclohexanecarboxamide
PubChem CID42705713
Molecular FormulaC23H28ClN3O2
Molecular Weight413.95 g/mol
Exact Mass413.19
IUPAC NameN-[3-[(4-chlorophenyl)carbamoylamino]propyl]-N-phenylcyclohexanecarboxamide
SMILESO=C(NCCCN(C(=O)C1CCCCC1)c1ccccc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C23H28ClN3O2/c24-19-12-14-20(15-13-19)26-23(29)25-16-7-17-27(21-10-5-2-6-11-21)22(28)18-8-3-1-4-9-18/h2,5-6,10-15,18H,1,3-4,7-9,16-17H2,(H2,25,26,29)
InChIKeyXKIMRMUPYHLDCO-UHFFFAOYSA-N
XLogP5.47
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.95
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[3-[(4-ethylphenyl)carbamoylamino]propyl]-N-phenylbenzamide
CID 42705311
3-(4-chlorophenyl)-1-[3-[(2-methylphenyl)carbamoylamino]propyl]-1-phenylurea
CID 42657176
2-chloro-N-[3-[(3,4-dichlorophenyl)carbamoylamino]propyl]-N-phenylbenzamide
CID 42706747
1-(4-chlorophenyl)-3-(3-cyclohexyloxypropyl)urea
CID 27870222
1-[3-[benzyl(methyl)amino]propyl]-3-(4-chlorophenyl)urea
CID 46647437
N-phenyl-N-[3-(3,5,5-trimethylhexanoylamino)propyl]cyclohexanecarboxamide
CID 42705710
4-chloro-N-[3-[(2-fluorophenyl)carbamoylamino]propyl]-N-phenylbenzamide
CID 42705306
2,4-dichloro-N-[3-(cyclobutanecarbonylamino)propyl]-N-phenylbenzamide
CID 42706776
1-[3-[bis[2-(4-chlorophenyl)ethyl]amino]propyl]-3-phenylurea
CID 22506194
1-(3-cyclohexylpropyl)-3-phenylurea
CID 19835717
N-[3-[N-(cyclohexanecarbonyl)anilino]propyl]-4-methyl-3-nitrobenzamide
CID 42705712
2-[4-chloro-N-(cycloheptanecarbonyl)anilino]acetic acid
CID 62586659

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-chlorophenyl)carbamoylamino]propyl]-N-phenylcyclohexanecarboxamide?
The IUPAC name of N-[3-[(4-chlorophenyl)carbamoylamino]propyl]-N-phenylcyclohexanecarboxamide (CID 42705713) is N-[3-[(4-chlorophenyl)carbamoylamino]propyl]-N-phenylcyclohexanecarboxamide.
What is the SMILES notation for N-[3-[(4-chlorophenyl)carbamoylamino]propyl]-N-phenylcyclohexanecarboxamide?
The canonical SMILES for N-[3-[(4-chlorophenyl)carbamoylamino]propyl]-N-phenylcyclohexanecarboxamide is O=C(NCCCN(C(=O)C1CCCCC1)c1ccccc1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-[3-[(4-chlorophenyl)carbamoylamino]propyl]-N-phenylcyclohexanecarboxamide?
The InChIKey is XKIMRMUPYHLDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O2/c24-19-12-14-20(15-13-19)26-23(29)25-16-7-17-27(21-10-5-2-6-11-21)22(28)18-8-3-1-4-9-18/h2,5-6,10-15,18H,1,3-4,7-9,16-17H2,(H2,25,26,29).
What are the key properties of N-[3-[(4-chlorophenyl)carbamoylamino]propyl]-N-phenylcyclohexanecarboxamide?
N-[3-[(4-chlorophenyl)carbamoylamino]propyl]-N-phenylcyclohexanecarboxamide has a molecular weight of 413.95 g/mol, XLogP of 5.47, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-chlorophenyl)carbamoylamino]propyl]-N-phenylcyclohexanecarboxamide is sourced from PubChem (CID 42705713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).