5-chloro-1-[(4-chlorophenyl)methyl]-N-(cyclohexylmethyl)-2,3-dihydroindole-7-carboxamide;formic acid

C24H28Cl2N2O3 — CID 143893743

IUPAC5-chloro-1-[(4-chlorophenyl)methyl]-N-(cyclohexylmethyl)-2,3-dihydroindole-7-carboxamide;formic acid
SMILESO=C(NCC1CCCCC1)c1cc(Cl)cc2c1N(Cc1ccc(Cl)cc1)CC2.O=CO
InChIInChI=1S/C23H26Cl2N2O.CH2O2/c24-19-8-6-17(7-9-19)15-27-11-10-18-12-20(25)13-21(22(18)27)23(28)26-14-16-4-2-1-3-5-16;2-1-3/h6-9,12-13,16H,1-5,10-11,14-15H2,(H,26,28);1H,(H,2,3)
InChIKeyXAUMRHDSLNWVCL-UHFFFAOYSA-N
MW463.41 g/mol
LogP5.57
Rot. Bonds5

About 5-chloro-1-[(4-chlorophenyl)methyl]-N-(cyclohexylmethyl)-2,3-dihydroindole-7-carboxamide;formic acid

5-chloro-1-[(4-chlorophenyl)methyl]-N-(cyclohexylmethyl)-2,3-dihydroindole-7-carboxamide;formic acid (PubChem CID 143893743) has the molecular formula C24H28Cl2N2O3 and a molecular weight of 463.41 g/mol. Its IUPAC name is 5-chloro-1-[(4-chlorophenyl)methyl]-N-(cyclohexylmethyl)-2,3-dihydroindole-7-carboxamide;formic acid.

Molecular Properties

Compound Name5-chloro-1-[(4-chlorophenyl)methyl]-N-(cyclohexylmethyl)-2,3-dihydroindole-7-carboxamide;formic acid
PubChem CID143893743
Molecular FormulaC24H28Cl2N2O3
Molecular Weight463.41 g/mol
Exact Mass462.15
IUPAC Name5-chloro-1-[(4-chlorophenyl)methyl]-N-(cyclohexylmethyl)-2,3-dihydroindole-7-carboxamide;formic acid
SMILESO=C(NCC1CCCCC1)c1cc(Cl)cc2c1N(Cc1ccc(Cl)cc1)CC2.O=CO
InChIInChI=1S/C23H26Cl2N2O.CH2O2/c24-19-8-6-17(7-9-19)15-27-11-10-18-12-20(25)13-21(22(18)27)23(28)26-14-16-4-2-1-3-5-16;2-1-3/h6-9,12-13,16H,1-5,10-11,14-15H2,(H,26,28);1H,(H,2,3)
InChIKeyXAUMRHDSLNWVCL-UHFFFAOYSA-N
XLogP5.57
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.41
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(cyclohexylmethyl)-1-[(4-phenylphenyl)methyl]-2,3-dihydroindole-7-carboxamide;formic acid
CID 143893703
5-chloro-N-(cyclohexylmethyl)-2-fluorobenzamide
CID 60674706
5-chloro-N-(cyclohexylmethyl)-2-methoxybenzamide
CID 2666780
5-chloro-N-(cyclohexylmethyl)-2-(ethylamino)benzamide
CID 63500418
4-[[[1-[(4-chlorophenyl)methyl]-2,3-dihydroindole-7-carbonyl]amino]methyl]benzoic acid
CID 143593194
N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-4-hydroxybenzamide
CID 58933474
5-chloro-N-(cyclohexylmethyl)furan-2-carboxamide
CID 35895984
4-[[[1-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydroindole-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 58306988
2-chloro-N-(cyclooctylmethyl)-5-iodobenzamide
CID 173122018
5-amino-2-chloro-N-(cyclohexylmethyl)benzamide
CID 43371364
2-chloro-N-(cyclooctylmethyl)-3-fluorobenzamide
CID 173284973
4,6-dichloro-N-(cycloheptylmethyl)-1-ethylindole-3-carboxamide
CID 58011331

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(4-chlorophenyl)methyl]-N-(cyclohexylmethyl)-2,3-dihydroindole-7-carboxamide;formic acid?
The IUPAC name of 5-chloro-1-[(4-chlorophenyl)methyl]-N-(cyclohexylmethyl)-2,3-dihydroindole-7-carboxamide;formic acid (CID 143893743) is 5-chloro-1-[(4-chlorophenyl)methyl]-N-(cyclohexylmethyl)-2,3-dihydroindole-7-carboxamide;formic acid.
What is the SMILES notation for 5-chloro-1-[(4-chlorophenyl)methyl]-N-(cyclohexylmethyl)-2,3-dihydroindole-7-carboxamide;formic acid?
The canonical SMILES for 5-chloro-1-[(4-chlorophenyl)methyl]-N-(cyclohexylmethyl)-2,3-dihydroindole-7-carboxamide;formic acid is O=C(NCC1CCCCC1)c1cc(Cl)cc2c1N(Cc1ccc(Cl)cc1)CC2.O=CO.
What is the InChIKey of 5-chloro-1-[(4-chlorophenyl)methyl]-N-(cyclohexylmethyl)-2,3-dihydroindole-7-carboxamide;formic acid?
The InChIKey is XAUMRHDSLNWVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2N2O.CH2O2/c24-19-8-6-17(7-9-19)15-27-11-10-18-12-20(25)13-21(22(18)27)23(28)26-14-16-4-2-1-3-5-16;2-1-3/h6-9,12-13,16H,1-5,10-11,14-15H2,(H,26,28);1H,(H,2,3).
What are the key properties of 5-chloro-1-[(4-chlorophenyl)methyl]-N-(cyclohexylmethyl)-2,3-dihydroindole-7-carboxamide;formic acid?
5-chloro-1-[(4-chlorophenyl)methyl]-N-(cyclohexylmethyl)-2,3-dihydroindole-7-carboxamide;formic acid has a molecular weight of 463.41 g/mol, XLogP of 5.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(4-chlorophenyl)methyl]-N-(cyclohexylmethyl)-2,3-dihydroindole-7-carboxamide;formic acid is sourced from PubChem (CID 143893743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).