4-(4-chlorophenyl)-N-[(4-phenylcyclohexyl)methyl]-1H-pyrrole-3-carboxamide

C24H25ClN2O — CID 142279626

IUPAC4-(4-chlorophenyl)-N-[(4-phenylcyclohexyl)methyl]-1H-pyrrole-3-carboxamide
SMILESO=C(NCC1CCC(c2ccccc2)CC1)c1c[nH]cc1-c1ccc(Cl)cc1
InChIInChI=1S/C24H25ClN2O/c25-21-12-10-20(11-13-21)22-15-26-16-23(22)24(28)27-14-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-5,10-13,15-17,19,26H,6-9,14H2,(H,27,28)
InChIKeyMPFYDWMABQUAFI-UHFFFAOYSA-N
MW392.93 g/mol
LogP6.04
Rot. Bonds5

About 4-(4-chlorophenyl)-N-[(4-phenylcyclohexyl)methyl]-1H-pyrrole-3-carboxamide

4-(4-chlorophenyl)-N-[(4-phenylcyclohexyl)methyl]-1H-pyrrole-3-carboxamide (PubChem CID 142279626) has the molecular formula C24H25ClN2O and a molecular weight of 392.93 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[(4-phenylcyclohexyl)methyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[(4-phenylcyclohexyl)methyl]-1H-pyrrole-3-carboxamide
PubChem CID142279626
Molecular FormulaC24H25ClN2O
Molecular Weight392.93 g/mol
Exact Mass392.17
IUPAC Name4-(4-chlorophenyl)-N-[(4-phenylcyclohexyl)methyl]-1H-pyrrole-3-carboxamide
SMILESO=C(NCC1CCC(c2ccccc2)CC1)c1c[nH]cc1-c1ccc(Cl)cc1
InChIInChI=1S/C24H25ClN2O/c25-21-12-10-20(11-13-21)22-15-26-16-23(22)24(28)27-14-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-5,10-13,15-17,19,26H,6-9,14H2,(H,27,28)
InChIKeyMPFYDWMABQUAFI-UHFFFAOYSA-N
XLogP6.04
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.93
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[(4-phenylcyclohexyl)methyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-N-[(4-phenylcyclohexyl)methyl]-1H-pyrrole-3-carboxamide (CID 142279626) is 4-(4-chlorophenyl)-N-[(4-phenylcyclohexyl)methyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[(4-phenylcyclohexyl)methyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-[(4-phenylcyclohexyl)methyl]-1H-pyrrole-3-carboxamide is O=C(NCC1CCC(c2ccccc2)CC1)c1c[nH]cc1-c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[(4-phenylcyclohexyl)methyl]-1H-pyrrole-3-carboxamide?
The InChIKey is MPFYDWMABQUAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O/c25-21-12-10-20(11-13-21)22-15-26-16-23(22)24(28)27-14-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-5,10-13,15-17,19,26H,6-9,14H2,(H,27,28).
What are the key properties of 4-(4-chlorophenyl)-N-[(4-phenylcyclohexyl)methyl]-1H-pyrrole-3-carboxamide?
4-(4-chlorophenyl)-N-[(4-phenylcyclohexyl)methyl]-1H-pyrrole-3-carboxamide has a molecular weight of 392.93 g/mol, XLogP of 6.04, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[(4-phenylcyclohexyl)methyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 142279626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).