N-(3,4-dichlorophenyl)-1-(3-methylbutyl)cyclopentane-1-carboxamide

C17H23Cl2NO — CID 141114710

IUPACN-(3,4-dichlorophenyl)-1-(3-methylbutyl)cyclopentane-1-carboxamide
SMILESCC(C)CCC1(C(=O)Nc2ccc(Cl)c(Cl)c2)CCCC1
InChIInChI=1S/C17H23Cl2NO/c1-12(2)7-10-17(8-3-4-9-17)16(21)20-13-5-6-14(18)15(19)11-13/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,20,21)
InChIKeyWRGPBXPONXZQPU-UHFFFAOYSA-N
MW328.28 g/mol
LogP5.93
Rot. Bonds5

About N-(3,4-dichlorophenyl)-1-(3-methylbutyl)cyclopentane-1-carboxamide

N-(3,4-dichlorophenyl)-1-(3-methylbutyl)cyclopentane-1-carboxamide (PubChem CID 141114710) has the molecular formula C17H23Cl2NO and a molecular weight of 328.28 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-1-(3-methylbutyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-1-(3-methylbutyl)cyclopentane-1-carboxamide
PubChem CID141114710
Molecular FormulaC17H23Cl2NO
Molecular Weight328.28 g/mol
Exact Mass327.12
IUPAC NameN-(3,4-dichlorophenyl)-1-(3-methylbutyl)cyclopentane-1-carboxamide
SMILESCC(C)CCC1(C(=O)Nc2ccc(Cl)c(Cl)c2)CCCC1
InChIInChI=1S/C17H23Cl2NO/c1-12(2)7-10-17(8-3-4-9-17)16(21)20-13-5-6-14(18)15(19)11-13/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,20,21)
InChIKeyWRGPBXPONXZQPU-UHFFFAOYSA-N
XLogP5.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.28
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-cyanophenyl)-1-(3-methylbutyl)cyclohexane-1-carboxamide
CID 141114717
S-[4,5-dichloro-2-[[1-(3-methylbutyl)cyclohexanecarbonyl]amino]phenyl] propanethioate
CID 22956361
(3,4-dichlorophenyl)-[(3R)-3-(3-methylbutyl)pyrrolidin-3-yl]methanone
CID 59744909
(3,4-dichlorophenyl)-[(3S)-3-(3-methylbutyl)pyrrolidin-3-yl]methanone
CID 59744763
S-[4,5-dichloro-2-[[1-(3-methylbutyl)cyclohexanecarbonyl]amino]phenyl] pyridine-3-carbothioate;hydrochloride
CID 162334288
1-(3-methylbutyl)-N-[2-[[2-[[1-(3-methylbutyl)cyclopentanecarbonyl]amino]phenyl]disulfanyl]phenyl]cyclopentane-1-carboxamide
CID 11955309
N-(3,4-dichlorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119670891
1-(aminomethyl)-N-(4-chloro-3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119708329
N-(3,4-dichlorophenyl)-5-methyl-3,4-dihydropyrazole-5-carboxamide
CID 90914024
4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-2-chlorobenzoic acid
CID 115435206
2-chloro-4-[(1-ethylcyclobutanecarbonyl)amino]benzoic acid
CID 119178935
1-(aminomethyl)-N-[3-chloro-4-(dimethylamino)phenyl]cyclohexane-1-carboxamide
CID 115437474

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-1-(3-methylbutyl)cyclopentane-1-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-1-(3-methylbutyl)cyclopentane-1-carboxamide (CID 141114710) is N-(3,4-dichlorophenyl)-1-(3-methylbutyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-1-(3-methylbutyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-1-(3-methylbutyl)cyclopentane-1-carboxamide is CC(C)CCC1(C(=O)Nc2ccc(Cl)c(Cl)c2)CCCC1.
What is the InChIKey of N-(3,4-dichlorophenyl)-1-(3-methylbutyl)cyclopentane-1-carboxamide?
The InChIKey is WRGPBXPONXZQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2NO/c1-12(2)7-10-17(8-3-4-9-17)16(21)20-13-5-6-14(18)15(19)11-13/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,20,21).
What are the key properties of N-(3,4-dichlorophenyl)-1-(3-methylbutyl)cyclopentane-1-carboxamide?
N-(3,4-dichlorophenyl)-1-(3-methylbutyl)cyclopentane-1-carboxamide has a molecular weight of 328.28 g/mol, XLogP of 5.93, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-1-(3-methylbutyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 141114710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).