2-(4-chlorophenyl)-N-(3,3-dimethylcyclopentyl)-3-methylbutanamide

C18H26ClNO — CID 114550401

IUPAC2-(4-chlorophenyl)-N-(3,3-dimethylcyclopentyl)-3-methylbutanamide
SMILESCC(C)C(C(=O)NC1CCC(C)(C)C1)c1ccc(Cl)cc1
InChIInChI=1S/C18H26ClNO/c1-12(2)16(13-5-7-14(19)8-6-13)17(21)20-15-9-10-18(3,4)11-15/h5-8,12,15-16H,9-11H2,1-4H3,(H,20,21)
InChIKeyTWLGKUWQXDMRFQ-UHFFFAOYSA-N
MW307.87 g/mol
LogP4.77
Rot. Bonds4

About 2-(4-chlorophenyl)-N-(3,3-dimethylcyclopentyl)-3-methylbutanamide

2-(4-chlorophenyl)-N-(3,3-dimethylcyclopentyl)-3-methylbutanamide (PubChem CID 114550401) has the molecular formula C18H26ClNO and a molecular weight of 307.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(3,3-dimethylcyclopentyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(3,3-dimethylcyclopentyl)-3-methylbutanamide
PubChem CID114550401
Molecular FormulaC18H26ClNO
Molecular Weight307.87 g/mol
Exact Mass307.17
IUPAC Name2-(4-chlorophenyl)-N-(3,3-dimethylcyclopentyl)-3-methylbutanamide
SMILESCC(C)C(C(=O)NC1CCC(C)(C)C1)c1ccc(Cl)cc1
InChIInChI=1S/C18H26ClNO/c1-12(2)16(13-5-7-14(19)8-6-13)17(21)20-15-9-10-18(3,4)11-15/h5-8,12,15-16H,9-11H2,1-4H3,(H,20,21)
InChIKeyTWLGKUWQXDMRFQ-UHFFFAOYSA-N
XLogP4.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.87
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chlorophenyl)-N-cyclopentyl-3-methylbutanamide
CID 60631278
2-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)-3-methylbutanamide
CID 43388740
4-chloro-N-(3,3-dimethylcyclopentyl)benzamide
CID 91506548
1-(4-chlorophenyl)-N-(3,3-dimethylcyclopentyl)cyclopropane-1-carboxamide
CID 115881748
N-[(1R)-1-(4-chlorophenyl)ethyl]-4,4-dimethylcyclohexan-1-amine
CID 81353525
2-(2-chlorophenyl)-N-(3,3-dimethylcyclopentyl)acetamide
CID 113345428
2-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbutanamide
CID 63294733
1-[[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115449634
2-(4-chlorophenyl)-3-methylbutanethioic S-acid
CID 12774585
N-cyclopentyl-2-(4-fluorophenyl)-3-methylbutanamide
CID 110316813
(2S)-2-(4-chlorophenyl)-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]butanamide
CID 30764658
2-(4-chlorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-3-methylbutanamide
CID 79030912

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(3,3-dimethylcyclopentyl)-3-methylbutanamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(3,3-dimethylcyclopentyl)-3-methylbutanamide (CID 114550401) is 2-(4-chlorophenyl)-N-(3,3-dimethylcyclopentyl)-3-methylbutanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(3,3-dimethylcyclopentyl)-3-methylbutanamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(3,3-dimethylcyclopentyl)-3-methylbutanamide is CC(C)C(C(=O)NC1CCC(C)(C)C1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(3,3-dimethylcyclopentyl)-3-methylbutanamide?
The InChIKey is TWLGKUWQXDMRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO/c1-12(2)16(13-5-7-14(19)8-6-13)17(21)20-15-9-10-18(3,4)11-15/h5-8,12,15-16H,9-11H2,1-4H3,(H,20,21).
What are the key properties of 2-(4-chlorophenyl)-N-(3,3-dimethylcyclopentyl)-3-methylbutanamide?
2-(4-chlorophenyl)-N-(3,3-dimethylcyclopentyl)-3-methylbutanamide has a molecular weight of 307.87 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(3,3-dimethylcyclopentyl)-3-methylbutanamide is sourced from PubChem (CID 114550401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).