1-[2-(4-bromo-2,6-difluoroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid

C14H14BrF2NO3 — CID 65467559

IUPAC1-[2-(4-bromo-2,6-difluoroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCC1)Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C14H14BrF2NO3/c15-8-5-9(16)12(10(17)6-8)18-11(19)7-14(13(20)21)3-1-2-4-14/h5-6H,1-4,7H2,(H,18,19)(H,20,21)
InChIKeyFEVDZXHLZGKISM-UHFFFAOYSA-N
MW362.17 g/mol
LogP3.70
Rot. Bonds4

About 1-[2-(4-bromo-2,6-difluoroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-(4-bromo-2,6-difluoroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 65467559) has the molecular formula C14H14BrF2NO3 and a molecular weight of 362.17 g/mol. Its IUPAC name is 1-[2-(4-bromo-2,6-difluoroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-bromo-2,6-difluoroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID65467559
Molecular FormulaC14H14BrF2NO3
Molecular Weight362.17 g/mol
Exact Mass361.01
IUPAC Name1-[2-(4-bromo-2,6-difluoroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCC1)Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C14H14BrF2NO3/c15-8-5-9(16)12(10(17)6-8)18-11(19)7-14(13(20)21)3-1-2-4-14/h5-6H,1-4,7H2,(H,18,19)(H,20,21)
InChIKeyFEVDZXHLZGKISM-UHFFFAOYSA-N
XLogP3.70
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.17
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminocyclobutyl)-N-(4-bromo-2,6-difluorophenyl)acetamide
CID 79854666
1-[2-(2,6-dibromoanilino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 107596796
1-[2-(2,5-difluoro-4-methylanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 103584581
1-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]cyclohexane-1-carboxylic acid
CID 24535569
1-[2-(4-bromo-2-ethylanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 81287082
1-[2-(4-chloroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 17420083
N-(4-bromo-2,6-difluorophenyl)-4-(methylamino)butanamide
CID 65469929
1-[2-(5-bromo-2-cyanoanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 107797184
1-[2-(4-hydroxyanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 17442656
1-[2-oxo-2-(pyrimidin-5-ylamino)ethyl]cyclopentane-1-carboxylic acid
CID 107587535
1-[2-[(2-bromo-5-fluorophenyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 61016742
1-[2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 54919633

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromo-2,6-difluoroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-(4-bromo-2,6-difluoroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 65467559) is 1-[2-(4-bromo-2,6-difluoroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(4-bromo-2,6-difluoroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-(4-bromo-2,6-difluoroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid is O=C(CC1(C(=O)O)CCCC1)Nc1c(F)cc(Br)cc1F.
What is the InChIKey of 1-[2-(4-bromo-2,6-difluoroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is FEVDZXHLZGKISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrF2NO3/c15-8-5-9(16)12(10(17)6-8)18-11(19)7-14(13(20)21)3-1-2-4-14/h5-6H,1-4,7H2,(H,18,19)(H,20,21).
What are the key properties of 1-[2-(4-bromo-2,6-difluoroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-(4-bromo-2,6-difluoroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 362.17 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromo-2,6-difluoroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 65467559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).