4-chloro-N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]benzamide;ethane

C24H35ClN2O — CID 145078476

IUPAC4-chloro-N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]benzamide;ethane
SMILESCC.CC.Cc1cc(C2CCC(CNC(=O)c3ccc(Cl)cc3)CC2)ccn1
InChIInChI=1S/C20H23ClN2O.2C2H6/c1-14-12-18(10-11-22-14)16-4-2-15(3-5-16)13-23-20(24)17-6-8-19(21)9-7-17;2*1-2/h6-12,15-16H,2-5,13H2,1H3,(H,23,24);2*1-2H3
InChIKeyGONPGMHQSZOEBV-UHFFFAOYSA-N
MW403.01 g/mol
LogP6.80
Rot. Bonds4

About 4-chloro-N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]benzamide;ethane

4-chloro-N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]benzamide;ethane (PubChem CID 145078476) has the molecular formula C24H35ClN2O and a molecular weight of 403.01 g/mol. Its IUPAC name is 4-chloro-N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]benzamide;ethane.

Molecular Properties

Compound Name4-chloro-N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]benzamide;ethane
PubChem CID145078476
Molecular FormulaC24H35ClN2O
Molecular Weight403.01 g/mol
Exact Mass402.24
IUPAC Name4-chloro-N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]benzamide;ethane
SMILESCC.CC.Cc1cc(C2CCC(CNC(=O)c3ccc(Cl)cc3)CC2)ccn1
InChIInChI=1S/C20H23ClN2O.2C2H6/c1-14-12-18(10-11-22-14)16-4-2-15(3-5-16)13-23-20(24)17-6-8-19(21)9-7-17;2*1-2/h6-12,15-16H,2-5,13H2,1H3,(H,23,24);2*1-2H3
InChIKeyGONPGMHQSZOEBV-UHFFFAOYSA-N
XLogP6.80
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.01
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methoxyphenyl)-N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]-1,3-oxazole-5-carboxamide
CID 142279911
N-[(3-chlorocyclopentyl)methyl]-2-methylpyridine-4-carboxamide
CID 106126288
4-(2-methoxyphenyl)-2-methyl-N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]-1H-pyrrole-3-carboxamide
CID 142279647
4-chloro-N-(oxan-4-ylmethyl)benzamide
CID 110736386
4-chloro-N-[[4-[(3-methoxypropylcarbamoylamino)methyl]cyclohexyl]methyl]benzamide
CID 68875804
4-[5-[(4-chlorobenzoyl)amino]-2-methylphenyl]-N-(cyclopropylmethyl)benzamide
CID 69201439
4-chloro-N-(cyclopropylmethyl)-6-methylpyridine-3-carboxamide
CID 81225290
N-[(4-chlorocyclohexyl)methyl]-3-methoxy-4-methylbenzamide
CID 106133824
4-chloro-N-[(4-chlorocyclohexyl)methyl]-2-methylbenzamide
CID 106134057
4-chloro-N-[4-(cyclopropylmethylamino)-4-oxobutyl]benzamide
CID 46541860
4-chloro-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]methyl]benzamide
CID 131911270
N-[(4-aminocyclohexyl)methyl]-4-fluoro-3-methoxybenzamide
CID 106124416

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]benzamide;ethane?
The IUPAC name of 4-chloro-N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]benzamide;ethane (CID 145078476) is 4-chloro-N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]benzamide;ethane.
What is the SMILES notation for 4-chloro-N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]benzamide;ethane?
The canonical SMILES for 4-chloro-N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]benzamide;ethane is CC.CC.Cc1cc(C2CCC(CNC(=O)c3ccc(Cl)cc3)CC2)ccn1.
What is the InChIKey of 4-chloro-N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]benzamide;ethane?
The InChIKey is GONPGMHQSZOEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O.2C2H6/c1-14-12-18(10-11-22-14)16-4-2-15(3-5-16)13-23-20(24)17-6-8-19(21)9-7-17;2*1-2/h6-12,15-16H,2-5,13H2,1H3,(H,23,24);2*1-2H3.
What are the key properties of 4-chloro-N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]benzamide;ethane?
4-chloro-N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]benzamide;ethane has a molecular weight of 403.01 g/mol, XLogP of 6.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]benzamide;ethane is sourced from PubChem (CID 145078476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).