3-chloro-N-(2-methoxycyclopentyl)-4-methyl-N-phenylcyclohexane-1-carboxamide

C20H28ClNO2 — CID 23347515

IUPAC3-chloro-N-(2-methoxycyclopentyl)-4-methyl-N-phenylcyclohexane-1-carboxamide
SMILESCOC1CCCC1N(C(=O)C1CCC(C)C(Cl)C1)c1ccccc1
InChIInChI=1S/C20H28ClNO2/c1-14-11-12-15(13-17(14)21)20(23)22(16-7-4-3-5-8-16)18-9-6-10-19(18)24-2/h3-5,7-8,14-15,17-19H,6,9-13H2,1-2H3
InChIKeyKIBYXMXORUFRCD-UHFFFAOYSA-N
MW349.90 g/mol
LogP4.63
Rot. Bonds4

About 3-chloro-N-(2-methoxycyclopentyl)-4-methyl-N-phenylcyclohexane-1-carboxamide

3-chloro-N-(2-methoxycyclopentyl)-4-methyl-N-phenylcyclohexane-1-carboxamide (PubChem CID 23347515) has the molecular formula C20H28ClNO2 and a molecular weight of 349.90 g/mol. Its IUPAC name is 3-chloro-N-(2-methoxycyclopentyl)-4-methyl-N-phenylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2-methoxycyclopentyl)-4-methyl-N-phenylcyclohexane-1-carboxamide
PubChem CID23347515
Molecular FormulaC20H28ClNO2
Molecular Weight349.90 g/mol
Exact Mass349.18
IUPAC Name3-chloro-N-(2-methoxycyclopentyl)-4-methyl-N-phenylcyclohexane-1-carboxamide
SMILESCOC1CCCC1N(C(=O)C1CCC(C)C(Cl)C1)c1ccccc1
InChIInChI=1S/C20H28ClNO2/c1-14-11-12-15(13-17(14)21)20(23)22(16-7-4-3-5-8-16)18-9-6-10-19(18)24-2/h3-5,7-8,14-15,17-19H,6,9-13H2,1-2H3
InChIKeyKIBYXMXORUFRCD-UHFFFAOYSA-N
XLogP4.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.90
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trichloroethyl N-[6-chloro-2-(N-[(1S,2R)-2-chlorocyclopropanecarbonyl]anilino)cycloheptyl]-N-methylcarbamate
CID 70592099
N-cyclohexyl-N-phenylcarbamoyl chloride
CID 18329458
3-chloro-N-[4-chloro-2-(dimethylamino)cycloheptyl]-N-phenylpropanamide
CID 20556403
3-bromo-N-[2-(dimethylamino)cycloheptyl]-2-methyl-N-phenylcyclobutane-1-carboxamide
CID 20556389
3-[(3-fluorophenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783681
2,2,2-trichloroethyl N-[4-chloro-2-(N-[(1S,2R)-2-chlorocyclopropanecarbonyl]anilino)cyclopentyl]-N-methylcarbamate
CID 70601169
[(1S,2S)-2-(N-methylanilino)cyclohexyl] acetate
CID 100993508
(1R,3R,4S)-4-hydroxy-3-methoxy-N-(1-phenylcyclopropyl)cyclohexane-1-carboxamide
CID 135088329
3-[(3-fluorophenyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103550637
4-[methyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 55237916
N-[(3R,4S)-3-methoxy-1-(1-phenylethyl)piperidin-4-yl]-N-phenylpropanamide
CID 86744623
2-[N-[(2-methoxycyclopentyl)carbamoyl]anilino]acetic acid
CID 62088266

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-methoxycyclopentyl)-4-methyl-N-phenylcyclohexane-1-carboxamide?
The IUPAC name of 3-chloro-N-(2-methoxycyclopentyl)-4-methyl-N-phenylcyclohexane-1-carboxamide (CID 23347515) is 3-chloro-N-(2-methoxycyclopentyl)-4-methyl-N-phenylcyclohexane-1-carboxamide.
What is the SMILES notation for 3-chloro-N-(2-methoxycyclopentyl)-4-methyl-N-phenylcyclohexane-1-carboxamide?
The canonical SMILES for 3-chloro-N-(2-methoxycyclopentyl)-4-methyl-N-phenylcyclohexane-1-carboxamide is COC1CCCC1N(C(=O)C1CCC(C)C(Cl)C1)c1ccccc1.
What is the InChIKey of 3-chloro-N-(2-methoxycyclopentyl)-4-methyl-N-phenylcyclohexane-1-carboxamide?
The InChIKey is KIBYXMXORUFRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClNO2/c1-14-11-12-15(13-17(14)21)20(23)22(16-7-4-3-5-8-16)18-9-6-10-19(18)24-2/h3-5,7-8,14-15,17-19H,6,9-13H2,1-2H3.
What are the key properties of 3-chloro-N-(2-methoxycyclopentyl)-4-methyl-N-phenylcyclohexane-1-carboxamide?
3-chloro-N-(2-methoxycyclopentyl)-4-methyl-N-phenylcyclohexane-1-carboxamide has a molecular weight of 349.90 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-methoxycyclopentyl)-4-methyl-N-phenylcyclohexane-1-carboxamide is sourced from PubChem (CID 23347515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).