1-[(4-chlorophenyl)methyl]-N-[1-[4-(hydroxymethyl)cyclohexyl]ethyl]-5-methylindole-7-carboxamide

C26H31ClN2O2 — CID 143893675

IUPAC1-[(4-chlorophenyl)methyl]-N-[1-[4-(hydroxymethyl)cyclohexyl]ethyl]-5-methylindole-7-carboxamide
SMILESCc1cc(C(=O)NC(C)C2CCC(CO)CC2)c2c(ccn2Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C26H31ClN2O2/c1-17-13-22-11-12-29(15-19-5-9-23(27)10-6-19)25(22)24(14-17)26(31)28-18(2)21-7-3-20(16-30)4-8-21/h5-6,9-14,18,20-21,30H,3-4,7-8,15-16H2,1-2H3,(H,28,31)
InChIKeyUONLXABLHQKDSW-UHFFFAOYSA-N
MW439.00 g/mol
LogP5.57
Rot. Bonds6

About 1-[(4-chlorophenyl)methyl]-N-[1-[4-(hydroxymethyl)cyclohexyl]ethyl]-5-methylindole-7-carboxamide

1-[(4-chlorophenyl)methyl]-N-[1-[4-(hydroxymethyl)cyclohexyl]ethyl]-5-methylindole-7-carboxamide (PubChem CID 143893675) has the molecular formula C26H31ClN2O2 and a molecular weight of 439.00 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-[1-[4-(hydroxymethyl)cyclohexyl]ethyl]-5-methylindole-7-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-[1-[4-(hydroxymethyl)cyclohexyl]ethyl]-5-methylindole-7-carboxamide
PubChem CID143893675
Molecular FormulaC26H31ClN2O2
Molecular Weight439.00 g/mol
Exact Mass438.21
IUPAC Name1-[(4-chlorophenyl)methyl]-N-[1-[4-(hydroxymethyl)cyclohexyl]ethyl]-5-methylindole-7-carboxamide
SMILESCc1cc(C(=O)NC(C)C2CCC(CO)CC2)c2c(ccn2Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C26H31ClN2O2/c1-17-13-22-11-12-29(15-19-5-9-23(27)10-6-19)25(22)24(14-17)26(31)28-18(2)21-7-3-20(16-30)4-8-21/h5-6,9-14,18,20-21,30H,3-4,7-8,15-16H2,1-2H3,(H,28,31)
InChIKeyUONLXABLHQKDSW-UHFFFAOYSA-N
XLogP5.57
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.00
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(4-chlorophenyl)methyl]-N-[1-[4-(hydroxymethyl)cyclohexyl]ethyl]-5-methylindole-7-carboxamide with MolForge

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Related Compounds

methyl 4-[1-[[5-chloro-1-[(4-chlorophenyl)methyl]indole-7-carbonyl]amino]ethyl]cyclohexane-1-carboxylate
CID 58306901
5-[1-[[1-[(4-chlorophenyl)methyl]-5-methylindole-7-carbonyl]amino]ethyl]thiophene-2-carboxylic acid
CID 58306395
methyl 4-[1-[[1-[(4-chlorophenyl)methyl]-4-fluoroindole-7-carbonyl]amino]ethyl]cyclohexane-1-carboxylate
CID 58306826
5-chloro-N-(1-cyclopropylethyl)-2-hydroxybenzamide
CID 43401499
1-[(4-chlorophenyl)methyl]-N-cyclopropylindole-7-carboxamide
CID 175076965
methyl 4-[(1S)-1-[[1-[(4-chlorophenyl)methyl]-5-fluoroindole-7-carbonyl]amino]ethyl]benzoate
CID 58306581
2-fluoro-5-methyl-N-(1-piperidin-4-ylethyl)benzamide
CID 62515843
4-[(1S)-1-[[1-[(4-chlorophenyl)methyl]-5-methoxyindole-7-carbonyl]amino]ethyl]benzoic acid
CID 58306877
5-chloro-N-cyclopropyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide
CID 175347600
2,4-dichloro-N-[(1S)-1-cyclopropylethyl]-5-methylbenzamide
CID 746126
5-chloro-N-(1-cyclohexylethyl)-2-fluorobenzamide
CID 62405432
5-amino-N-(1-cyclopropylethyl)-2-methylbenzamide
CID 61290779

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[1-[4-(hydroxymethyl)cyclohexyl]ethyl]-5-methylindole-7-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[1-[4-(hydroxymethyl)cyclohexyl]ethyl]-5-methylindole-7-carboxamide (CID 143893675) is 1-[(4-chlorophenyl)methyl]-N-[1-[4-(hydroxymethyl)cyclohexyl]ethyl]-5-methylindole-7-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-[1-[4-(hydroxymethyl)cyclohexyl]ethyl]-5-methylindole-7-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-[1-[4-(hydroxymethyl)cyclohexyl]ethyl]-5-methylindole-7-carboxamide is Cc1cc(C(=O)NC(C)C2CCC(CO)CC2)c2c(ccn2Cc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-[1-[4-(hydroxymethyl)cyclohexyl]ethyl]-5-methylindole-7-carboxamide?
The InChIKey is UONLXABLHQKDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN2O2/c1-17-13-22-11-12-29(15-19-5-9-23(27)10-6-19)25(22)24(14-17)26(31)28-18(2)21-7-3-20(16-30)4-8-21/h5-6,9-14,18,20-21,30H,3-4,7-8,15-16H2,1-2H3,(H,28,31).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-[1-[4-(hydroxymethyl)cyclohexyl]ethyl]-5-methylindole-7-carboxamide?
1-[(4-chlorophenyl)methyl]-N-[1-[4-(hydroxymethyl)cyclohexyl]ethyl]-5-methylindole-7-carboxamide has a molecular weight of 439.00 g/mol, XLogP of 5.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-[1-[4-(hydroxymethyl)cyclohexyl]ethyl]-5-methylindole-7-carboxamide is sourced from PubChem (CID 143893675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).