1-[2-(4-chloroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid

C14H16ClNO3 — CID 17420083

IUPAC1-[2-(4-chloroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H16ClNO3/c15-10-3-5-11(6-4-10)16-12(17)9-14(13(18)19)7-1-2-8-14/h3-6H,1-2,7-9H2,(H,16,17)(H,18,19)
InChIKeyJPSKGDKGXVCPGD-UHFFFAOYSA-N
MW281.74 g/mol
LogP3.31
Rot. Bonds4

About 1-[2-(4-chloroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-(4-chloroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 17420083) has the molecular formula C14H16ClNO3 and a molecular weight of 281.74 g/mol. Its IUPAC name is 1-[2-(4-chloroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-chloroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID17420083
Molecular FormulaC14H16ClNO3
Molecular Weight281.74 g/mol
Exact Mass281.08
IUPAC Name1-[2-(4-chloroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H16ClNO3/c15-10-3-5-11(6-4-10)16-12(17)9-14(13(18)19)7-1-2-8-14/h3-6H,1-2,7-9H2,(H,16,17)(H,18,19)
InChIKeyJPSKGDKGXVCPGD-UHFFFAOYSA-N
XLogP3.31
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-hydroxyanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 17442656
1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 45312610
1-[2-(4-nitroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43402804
1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43396507
1-[(4-chlorophenoxy)methyl]cyclopentane-1-carboxylic acid
CID 82132012
1-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]cyclohexane-1-carboxylic acid
CID 24535569
1-[2-oxo-2-(pyrimidin-5-ylamino)ethyl]cyclopentane-1-carboxylic acid
CID 107587535
1-[(4-chlorophenoxy)methyl]cyclohexane-1-carboxylic acid
CID 82134215
1-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43579885
1-[2-oxo-2-(pyrimidin-5-ylamino)ethyl]cycloheptane-1-carboxylic acid
CID 107587527
1-[2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 56807907
1-[2-[(2-chloropyrimidin-4-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 116794778

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-(4-chloroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 17420083) is 1-[2-(4-chloroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(4-chloroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-(4-chloroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid is O=C(CC1(C(=O)O)CCCC1)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chloroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is JPSKGDKGXVCPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO3/c15-10-3-5-11(6-4-10)16-12(17)9-14(13(18)19)7-1-2-8-14/h3-6H,1-2,7-9H2,(H,16,17)(H,18,19).
What are the key properties of 1-[2-(4-chloroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-(4-chloroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 281.74 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chloroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 17420083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).