3,4-dichloro-5-methyl-N-(4-phenylcyclohexyl)-1H-pyrrole-2-carboxamide

C18H20Cl2N2O — CID 141153851

IUPAC3,4-dichloro-5-methyl-N-(4-phenylcyclohexyl)-1H-pyrrole-2-carboxamide
SMILESCc1[nH]c(C(=O)NC2CCC(c3ccccc3)CC2)c(Cl)c1Cl
InChIInChI=1S/C18H20Cl2N2O/c1-11-15(19)16(20)17(21-11)18(23)22-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-6,13-14,21H,7-10H2,1H3,(H,22,23)
InChIKeyOOUFFJNZEIZYSQ-UHFFFAOYSA-N
MW351.28 g/mol
LogP5.09
Rot. Bonds3

About 3,4-dichloro-5-methyl-N-(4-phenylcyclohexyl)-1H-pyrrole-2-carboxamide

3,4-dichloro-5-methyl-N-(4-phenylcyclohexyl)-1H-pyrrole-2-carboxamide (PubChem CID 141153851) has the molecular formula C18H20Cl2N2O and a molecular weight of 351.28 g/mol. Its IUPAC name is 3,4-dichloro-5-methyl-N-(4-phenylcyclohexyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name3,4-dichloro-5-methyl-N-(4-phenylcyclohexyl)-1H-pyrrole-2-carboxamide
PubChem CID141153851
Molecular FormulaC18H20Cl2N2O
Molecular Weight351.28 g/mol
Exact Mass350.10
IUPAC Name3,4-dichloro-5-methyl-N-(4-phenylcyclohexyl)-1H-pyrrole-2-carboxamide
SMILESCc1[nH]c(C(=O)NC2CCC(c3ccccc3)CC2)c(Cl)c1Cl
InChIInChI=1S/C18H20Cl2N2O/c1-11-15(19)16(20)17(21-11)18(23)22-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-6,13-14,21H,7-10H2,1H3,(H,22,23)
InChIKeyOOUFFJNZEIZYSQ-UHFFFAOYSA-N
XLogP5.09
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.28
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]benzoic acid
CID 11315436
5-(2,2-dimethylpropylamino)-2,4-dioxo-N-(4-phenylcyclohexyl)-1H-pyrimidine-6-carboxamide
CID 118543442
2-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 11463807
methyl 5-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]thiophene-2-carboxylate
CID 68580137
3,4-dichloro-5-methyl-N-[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide
CID 68582659
N-(4-phenylcyclohexyl)-2H-triazole-4-carboxamide
CID 112733345
1-(2-hydroxyethyl)-3-(4-phenylcyclohexyl)urea
CID 110894206
3-hydroxy-2-oxo-N-(4-phenylcyclohexyl)-1H-pyridine-4-carboxamide
CID 86730086
4-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-6-fluoroquinoline-2-carboxylic acid
CID 69361200
4-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-N-methoxypyridine-2-carboxamide
CID 86608342
2-(2,4-dichlorophenyl)-N-(4-phenylcyclohexyl)acetamide
CID 22076139
4-(methylamino)-N-(4-phenylcyclohexyl)butanamide;hydrochloride
CID 119716199

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-5-methyl-N-(4-phenylcyclohexyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 3,4-dichloro-5-methyl-N-(4-phenylcyclohexyl)-1H-pyrrole-2-carboxamide (CID 141153851) is 3,4-dichloro-5-methyl-N-(4-phenylcyclohexyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 3,4-dichloro-5-methyl-N-(4-phenylcyclohexyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 3,4-dichloro-5-methyl-N-(4-phenylcyclohexyl)-1H-pyrrole-2-carboxamide is Cc1[nH]c(C(=O)NC2CCC(c3ccccc3)CC2)c(Cl)c1Cl.
What is the InChIKey of 3,4-dichloro-5-methyl-N-(4-phenylcyclohexyl)-1H-pyrrole-2-carboxamide?
The InChIKey is OOUFFJNZEIZYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O/c1-11-15(19)16(20)17(21-11)18(23)22-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-6,13-14,21H,7-10H2,1H3,(H,22,23).
What are the key properties of 3,4-dichloro-5-methyl-N-(4-phenylcyclohexyl)-1H-pyrrole-2-carboxamide?
3,4-dichloro-5-methyl-N-(4-phenylcyclohexyl)-1H-pyrrole-2-carboxamide has a molecular weight of 351.28 g/mol, XLogP of 5.09, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-5-methyl-N-(4-phenylcyclohexyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 141153851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).