5-chloro-N-(4-cyclohexylphenyl)-2,3-dihydroindole-1-carboxamide;formic acid

C22H25ClN2O3 — CID 143736777

IUPAC5-chloro-N-(4-cyclohexylphenyl)-2,3-dihydroindole-1-carboxamide;formic acid
SMILESO=C(Nc1ccc(C2CCCCC2)cc1)N1CCc2cc(Cl)ccc21.O=CO
InChIInChI=1S/C21H23ClN2O.CH2O2/c22-18-8-11-20-17(14-18)12-13-24(20)21(25)23-19-9-6-16(7-10-19)15-4-2-1-3-5-15;2-1-3/h6-11,14-15H,1-5,12-13H2,(H,23,25);1H,(H,2,3)
InChIKeyYOLWMORCFZCONV-UHFFFAOYSA-N
MW400.91 g/mol
LogP5.68
Rot. Bonds2

About 5-chloro-N-(4-cyclohexylphenyl)-2,3-dihydroindole-1-carboxamide;formic acid

5-chloro-N-(4-cyclohexylphenyl)-2,3-dihydroindole-1-carboxamide;formic acid (PubChem CID 143736777) has the molecular formula C22H25ClN2O3 and a molecular weight of 400.91 g/mol. Its IUPAC name is 5-chloro-N-(4-cyclohexylphenyl)-2,3-dihydroindole-1-carboxamide;formic acid.

Molecular Properties

Compound Name5-chloro-N-(4-cyclohexylphenyl)-2,3-dihydroindole-1-carboxamide;formic acid
PubChem CID143736777
Molecular FormulaC22H25ClN2O3
Molecular Weight400.91 g/mol
Exact Mass400.16
IUPAC Name5-chloro-N-(4-cyclohexylphenyl)-2,3-dihydroindole-1-carboxamide;formic acid
SMILESO=C(Nc1ccc(C2CCCCC2)cc1)N1CCc2cc(Cl)ccc21.O=CO
InChIInChI=1S/C21H23ClN2O.CH2O2/c22-18-8-11-20-17(14-18)12-13-24(20)21(25)23-19-9-6-16(7-10-19)15-4-2-1-3-5-15;2-1-3/h6-11,14-15H,1-5,12-13H2,(H,23,25);1H,(H,2,3)
InChIKeyYOLWMORCFZCONV-UHFFFAOYSA-N
XLogP5.68
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.91
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-chloro-N-(4-cyclohexylphenyl)-2,3-dihydroindole-1-carboxamide;formic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chlorophenyl)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole-5-carboxamide
CID 2998086
N-(4-chlorophenyl)-3-phenylpyrrolidine-1-carboxamide
CID 5065355
1-(4-Chlorophenyl)-3-(4-pyrrolidin-3-ylphenyl)urea
CID 53250295
N-(4-chlorophenyl)-1-indolinecarboxamide
CID 804189
N-(4-chloro-2-phenylphenyl)-3,4-dihydroxypyrrolidine-1-carboxamide
CID 121587911
N-(4-chlorophenyl)-5-fluoro-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 24131108
1'-[(3-chlorophenyl)methyl]-5-fluoro-N-(4-methylphenyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 24130365
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide
CID 108991217
N-(4-chlorophenyl)-5-fluoro-3-phenyl-1-indolinecarboxamide
CID 134093371
[2-[2-(5-Chloro-2,3-dihydroindol-1-yl)phenyl]phenyl]carbamic acid
CID 21297671
[(7-chloro-2-oxo-5-phenyl-3H-1,3-benzodiazepin-1-yl)-phenylmethyl]-ethylcarbamic acid
CID 21541614
9-Chloro-10b-phenyl-1,2,3,6-tetrahydropyrrolo[1,2-c]quinazolin-5-one
CID 21755363

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-cyclohexylphenyl)-2,3-dihydroindole-1-carboxamide;formic acid?
The IUPAC name of 5-chloro-N-(4-cyclohexylphenyl)-2,3-dihydroindole-1-carboxamide;formic acid (CID 143736777) is 5-chloro-N-(4-cyclohexylphenyl)-2,3-dihydroindole-1-carboxamide;formic acid.
What is the SMILES notation for 5-chloro-N-(4-cyclohexylphenyl)-2,3-dihydroindole-1-carboxamide;formic acid?
The canonical SMILES for 5-chloro-N-(4-cyclohexylphenyl)-2,3-dihydroindole-1-carboxamide;formic acid is O=C(Nc1ccc(C2CCCCC2)cc1)N1CCc2cc(Cl)ccc21.O=CO.
What is the InChIKey of 5-chloro-N-(4-cyclohexylphenyl)-2,3-dihydroindole-1-carboxamide;formic acid?
The InChIKey is YOLWMORCFZCONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O.CH2O2/c22-18-8-11-20-17(14-18)12-13-24(20)21(25)23-19-9-6-16(7-10-19)15-4-2-1-3-5-15;2-1-3/h6-11,14-15H,1-5,12-13H2,(H,23,25);1H,(H,2,3).
What are the key properties of 5-chloro-N-(4-cyclohexylphenyl)-2,3-dihydroindole-1-carboxamide;formic acid?
5-chloro-N-(4-cyclohexylphenyl)-2,3-dihydroindole-1-carboxamide;formic acid has a molecular weight of 400.91 g/mol, XLogP of 5.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-cyclohexylphenyl)-2,3-dihydroindole-1-carboxamide;formic acid is sourced from PubChem (CID 143736777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).