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

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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).