(2R)-N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-ethylhexanamide

C26H37ClN2O — CID 7330855

IUPAC(2R)-N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-ethylhexanamide
SMILESCCCC[C@@H](CC)C(=O)N(Cc1cccn1Cc1cccc(Cl)c1)C1CCCCC1
InChIInChI=1S/C26H37ClN2O/c1-3-5-12-22(4-2)26(30)29(24-14-7-6-8-15-24)20-25-16-10-17-28(25)19-21-11-9-13-23(27)18-21/h9-11,13,16-18,22,24H,3-8,12,14-15,19-20H2,1-2H3/t22-/m1/s1
InChIKeyYUTVZTUPISJRMR-JOCHJYFZSA-N
MW429.05 g/mol
LogP7.07
Rot. Bonds10

About (2R)-N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-ethylhexanamide

(2R)-N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-ethylhexanamide (PubChem CID 7330855) has the molecular formula C26H37ClN2O and a molecular weight of 429.05 g/mol. Its IUPAC name is (2R)-N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-ethylhexanamide.

Molecular Properties

Compound Name(2R)-N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-ethylhexanamide
PubChem CID7330855
Molecular FormulaC26H37ClN2O
Molecular Weight429.05 g/mol
Exact Mass428.26
IUPAC Name(2R)-N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-ethylhexanamide
SMILESCCCC[C@@H](CC)C(=O)N(Cc1cccn1Cc1cccc(Cl)c1)C1CCCCC1
InChIInChI=1S/C26H37ClN2O/c1-3-5-12-22(4-2)26(30)29(24-14-7-6-8-15-24)20-25-16-10-17-28(25)19-21-11-9-13-23(27)18-21/h9-11,13,16-18,22,24H,3-8,12,14-15,19-20H2,1-2H3/t22-/m1/s1
InChIKeyYUTVZTUPISJRMR-JOCHJYFZSA-N
XLogP7.07
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.05
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dichloro-N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexylacetamide
CID 3965068
N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-phenylbutanamide
CID 3975423
N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-2-ethyl-N-(3-methoxypropyl)hexanamide
CID 4042735
N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-methoxyacetamide
CID 3972757
1-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-1-cyclohexyl-3-(4-propan-2-ylphenyl)urea
CID 42762849
N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexylthiophene-2-carboxamide
CID 42762783
N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-pentylcyclobutanecarboxamide
CID 5161057
N-tert-butyl-N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]cyclobutanecarboxamide
CID 4304454
N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-propylcyclopentanecarboxamide
CID 3594954
N-butan-2-yl-N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]pentanamide
CID 42764473
N-[(2S)-butan-2-yl]-N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]cyclopropanecarboxamide
CID 810447
N-butyl-2-ethyl-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]hexanamide
CID 42762987

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-ethylhexanamide?
The IUPAC name of (2R)-N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-ethylhexanamide (CID 7330855) is (2R)-N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-ethylhexanamide.
What is the SMILES notation for (2R)-N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-ethylhexanamide?
The canonical SMILES for (2R)-N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-ethylhexanamide is CCCC[C@@H](CC)C(=O)N(Cc1cccn1Cc1cccc(Cl)c1)C1CCCCC1.
What is the InChIKey of (2R)-N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-ethylhexanamide?
The InChIKey is YUTVZTUPISJRMR-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H37ClN2O/c1-3-5-12-22(4-2)26(30)29(24-14-7-6-8-15-24)20-25-16-10-17-28(25)19-21-11-9-13-23(27)18-21/h9-11,13,16-18,22,24H,3-8,12,14-15,19-20H2,1-2H3/t22-/m1/s1.
What are the key properties of (2R)-N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-ethylhexanamide?
(2R)-N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-ethylhexanamide has a molecular weight of 429.05 g/mol, XLogP of 7.07, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-ethylhexanamide is sourced from PubChem (CID 7330855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).