1-(4-chlorophenyl)-N-(3-chloro-4-propoxyphenyl)cyclohexane-1-carboxamide

C22H25Cl2NO2 — CID 100675916

IUPAC1-(4-chlorophenyl)-N-(3-chloro-4-propoxyphenyl)cyclohexane-1-carboxamide
SMILESCCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1Cl
InChIInChI=1S/C22H25Cl2NO2/c1-2-14-27-20-11-10-18(15-19(20)24)25-21(26)22(12-4-3-5-13-22)16-6-8-17(23)9-7-16/h6-11,15H,2-5,12-14H2,1H3,(H,25,26)
InChIKeyIYXOTMLEJWAGSJ-UHFFFAOYSA-N
MW406.35 g/mol
LogP6.62
Rot. Bonds6

About 1-(4-chlorophenyl)-N-(3-chloro-4-propoxyphenyl)cyclohexane-1-carboxamide

1-(4-chlorophenyl)-N-(3-chloro-4-propoxyphenyl)cyclohexane-1-carboxamide (PubChem CID 100675916) has the molecular formula C22H25Cl2NO2 and a molecular weight of 406.35 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(3-chloro-4-propoxyphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(3-chloro-4-propoxyphenyl)cyclohexane-1-carboxamide
PubChem CID100675916
Molecular FormulaC22H25Cl2NO2
Molecular Weight406.35 g/mol
Exact Mass405.13
IUPAC Name1-(4-chlorophenyl)-N-(3-chloro-4-propoxyphenyl)cyclohexane-1-carboxamide
SMILESCCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1Cl
InChIInChI=1S/C22H25Cl2NO2/c1-2-14-27-20-11-10-18(15-19(20)24)25-21(26)22(12-4-3-5-13-22)16-6-8-17(23)9-7-16/h6-11,15H,2-5,12-14H2,1H3,(H,25,26)
InChIKeyIYXOTMLEJWAGSJ-UHFFFAOYSA-N
XLogP6.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.35
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-chloro-4-(2-methoxyethoxy)phenyl]-1-(4-methylphenyl)cyclohexane-1-carboxamide
CID 100672829
N-(4-butoxy-3-cyanophenyl)-1-(4-chlorophenyl)cyclopentane-1-carboxamide
CID 100722065
N-(3-chloro-4-propoxyphenyl)-1-propoxycyclopentane-1-carboxamide
CID 100712883
N-(3-chloro-4-ethoxyphenyl)-1-(2,4-dichlorophenyl)cyclopentane-1-carboxamide
CID 100668194
N-(3-methyl-4-propoxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 100658553
N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 100674752
N-(4-butoxy-3-methylphenyl)-1-(4-methylphenyl)cyclohexane-1-carboxamide
CID 100672545
N-(3-cyano-4-propoxyphenyl)-1-phenylcyclohexane-1-carboxamide
CID 100744658
N-(3-methyl-4-propoxyphenyl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide
CID 100659685
sodium 1-[2-(3-chloro-4-propoxyanilino)-2-oxoethyl]cyclobutane-1-carboxylate
CID 167850228
N-(4-butoxy-3-methylphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 100664950
N-[3-chloro-4-(2-methoxyethoxy)phenyl]-1-methylcyclopentane-1-carboxamide
CID 95161970

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(3-chloro-4-propoxyphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(3-chloro-4-propoxyphenyl)cyclohexane-1-carboxamide (CID 100675916) is 1-(4-chlorophenyl)-N-(3-chloro-4-propoxyphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(3-chloro-4-propoxyphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(3-chloro-4-propoxyphenyl)cyclohexane-1-carboxamide is CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1Cl.
What is the InChIKey of 1-(4-chlorophenyl)-N-(3-chloro-4-propoxyphenyl)cyclohexane-1-carboxamide?
The InChIKey is IYXOTMLEJWAGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2NO2/c1-2-14-27-20-11-10-18(15-19(20)24)25-21(26)22(12-4-3-5-13-22)16-6-8-17(23)9-7-16/h6-11,15H,2-5,12-14H2,1H3,(H,25,26).
What are the key properties of 1-(4-chlorophenyl)-N-(3-chloro-4-propoxyphenyl)cyclohexane-1-carboxamide?
1-(4-chlorophenyl)-N-(3-chloro-4-propoxyphenyl)cyclohexane-1-carboxamide has a molecular weight of 406.35 g/mol, XLogP of 6.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(3-chloro-4-propoxyphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 100675916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).