1-(3-chloroanilino)-2,2-dimethylcyclopentane-1-carboxylic acid

C14H18ClNO2 — CID 79856476

IUPAC1-(3-chloroanilino)-2,2-dimethylcyclopentane-1-carboxylic acid
SMILESCC1(C)CCCC1(Nc1cccc(Cl)c1)C(=O)O
InChIInChI=1S/C14H18ClNO2/c1-13(2)7-4-8-14(13,12(17)18)16-11-6-3-5-10(15)9-11/h3,5-6,9,16H,4,7-8H2,1-2H3,(H,17,18)
InChIKeyGUDABPLLGJUSEE-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.79
Rot. Bonds3

About 1-(3-chloroanilino)-2,2-dimethylcyclopentane-1-carboxylic acid

1-(3-chloroanilino)-2,2-dimethylcyclopentane-1-carboxylic acid (PubChem CID 79856476) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 1-(3-chloroanilino)-2,2-dimethylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-chloroanilino)-2,2-dimethylcyclopentane-1-carboxylic acid
PubChem CID79856476
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name1-(3-chloroanilino)-2,2-dimethylcyclopentane-1-carboxylic acid
SMILESCC1(C)CCCC1(Nc1cccc(Cl)c1)C(=O)O
InChIInChI=1S/C14H18ClNO2/c1-13(2)7-4-8-14(13,12(17)18)16-11-6-3-5-10(15)9-11/h3,5-6,9,16H,4,7-8H2,1-2H3,(H,17,18)
InChIKeyGUDABPLLGJUSEE-UHFFFAOYSA-N
XLogP3.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromoanilino)-2,2-dimethylcyclohexane-1-carboxylic acid
CID 79847327
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CID 79948144
4-(3-chloroanilino)oxane-4-carboxylic acid
CID 60990859
methyl 1-(3-chloroanilino)-4,4-dimethylcycloheptane-1-carboxylate
CID 65085708
N-(3-chlorophenyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide
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N-(3-chlorophenyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide
CID 107163743
1-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62096058
1-(3-chloroanilino)-4-propan-2-ylcycloheptane-1-carboxylic acid
CID 65088679
3-(3-chloroanilino)-2-methyloxolane-3-carboxylic acid
CID 82719069
[1-(3-chloroanilino)cyclooctyl]methanol
CID 63428436
[1-(3-chloroanilino)cyclohexyl]methanol
CID 61050342
2-(1-aminocyclopentyl)-N-(3-chlorophenyl)acetamide
CID 64685930

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloroanilino)-2,2-dimethylcyclopentane-1-carboxylic acid?
The IUPAC name of 1-(3-chloroanilino)-2,2-dimethylcyclopentane-1-carboxylic acid (CID 79856476) is 1-(3-chloroanilino)-2,2-dimethylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(3-chloroanilino)-2,2-dimethylcyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(3-chloroanilino)-2,2-dimethylcyclopentane-1-carboxylic acid is CC1(C)CCCC1(Nc1cccc(Cl)c1)C(=O)O.
What is the InChIKey of 1-(3-chloroanilino)-2,2-dimethylcyclopentane-1-carboxylic acid?
The InChIKey is GUDABPLLGJUSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-13(2)7-4-8-14(13,12(17)18)16-11-6-3-5-10(15)9-11/h3,5-6,9,16H,4,7-8H2,1-2H3,(H,17,18).
What are the key properties of 1-(3-chloroanilino)-2,2-dimethylcyclopentane-1-carboxylic acid?
1-(3-chloroanilino)-2,2-dimethylcyclopentane-1-carboxylic acid has a molecular weight of 267.76 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloroanilino)-2,2-dimethylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 79856476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).