1-(2-chlorophenyl)-N-(6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide

C21H25ClN2O2 — CID 100771541

IUPAC1-(2-chlorophenyl)-N-(6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide
SMILESCCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)cn1
InChIInChI=1S/C21H25ClN2O2/c1-2-14-26-19-11-10-16(15-23-19)24-20(25)21(12-6-3-7-13-21)17-8-4-5-9-18(17)22/h4-5,8-11,15H,2-3,6-7,12-14H2,1H3,(H,24,25)
InChIKeyQBQKIRFRLACAPL-UHFFFAOYSA-N
MW372.90 g/mol
LogP5.36
Rot. Bonds6

About 1-(2-chlorophenyl)-N-(6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide

1-(2-chlorophenyl)-N-(6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide (PubChem CID 100771541) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide
PubChem CID100771541
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name1-(2-chlorophenyl)-N-(6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide
SMILESCCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)cn1
InChIInChI=1S/C21H25ClN2O2/c1-2-14-26-19-11-10-16(15-23-19)24-20(25)21(12-6-3-7-13-21)17-8-4-5-9-18(17)22/h4-5,8-11,15H,2-3,6-7,12-14H2,1H3,(H,24,25)
InChIKeyQBQKIRFRLACAPL-UHFFFAOYSA-N
XLogP5.36
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.90
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-N-(5-methyl-6-propoxy-3-pyridinyl)cyclopentane-1-carboxamide
CID 100770147
1-(2-chlorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclopentane-1-carboxamide
CID 100770113
1-(2,4-dichlorophenyl)-N-(6-methoxy-3-pyridinyl)cyclohexane-1-carboxamide
CID 100771662
N-(6-butoxy-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide
CID 100770743
1-(2-chlorophenyl)-N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]cyclohexane-1-carboxamide
CID 100771590
1-(4-chlorophenyl)-N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]cyclohexane-1-carboxamide
CID 100781335
1-(2-chlorophenyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclopentane-1-carboxamide
CID 100666490
1-(2,4-dichlorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide
CID 100771719
N-[4-[2-(azepan-1-yl)ethoxy]phenyl]-1-(2-chlorophenyl)cyclopentane-1-carboxamide
CID 100666686
N-(6-butoxy-3-pyridinyl)-1-methoxycyclopentane-1-carboxamide
CID 100775055
N-[6-(2-ethoxyethoxy)-3-pyridinyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 100769840
N-[6-(2-methoxyethoxy)-3-pyridinyl]-1-methylcyclohexane-1-carboxamide
CID 99621153

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide (CID 100771541) is 1-(2-chlorophenyl)-N-(6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide is CCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)cn1.
What is the InChIKey of 1-(2-chlorophenyl)-N-(6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide?
The InChIKey is QBQKIRFRLACAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-2-14-26-19-11-10-16(15-23-19)24-20(25)21(12-6-3-7-13-21)17-8-4-5-9-18(17)22/h4-5,8-11,15H,2-3,6-7,12-14H2,1H3,(H,24,25).
What are the key properties of 1-(2-chlorophenyl)-N-(6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide?
1-(2-chlorophenyl)-N-(6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide has a molecular weight of 372.90 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 100771541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).