2-[1-[2-(2,4-dibromoanilino)-2-oxoethyl]cyclopentyl]acetic acid

C15H17Br2NO3 — CID 60662604

IUPAC2-[1-[2-(2,4-dibromoanilino)-2-oxoethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)Nc2ccc(Br)cc2Br)CCCC1
InChIInChI=1S/C15H17Br2NO3/c16-10-3-4-12(11(17)7-10)18-13(19)8-15(9-14(20)21)5-1-2-6-15/h3-4,7H,1-2,5-6,8-9H2,(H,18,19)(H,20,21)
InChIKeySQUFWRVJBRRZFP-UHFFFAOYSA-N
MW419.11 g/mol
LogP4.58
Rot. Bonds5

About 2-[1-[2-(2,4-dibromoanilino)-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-(2,4-dibromoanilino)-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 60662604) has the molecular formula C15H17Br2NO3 and a molecular weight of 419.11 g/mol. Its IUPAC name is 2-[1-[2-(2,4-dibromoanilino)-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(2,4-dibromoanilino)-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID60662604
Molecular FormulaC15H17Br2NO3
Molecular Weight419.11 g/mol
Exact Mass416.96
IUPAC Name2-[1-[2-(2,4-dibromoanilino)-2-oxoethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)Nc2ccc(Br)cc2Br)CCCC1
InChIInChI=1S/C15H17Br2NO3/c16-10-3-4-12(11(17)7-10)18-13(19)8-15(9-14(20)21)5-1-2-6-15/h3-4,7H,1-2,5-6,8-9H2,(H,18,19)(H,20,21)
InChIKeySQUFWRVJBRRZFP-UHFFFAOYSA-N
XLogP4.58
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.11
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[2-(2-bromo-5-chloroanilino)-2-oxoethyl]cyclopentyl]acetic acid
CID 81260207
2-[1-[2-(2-bromo-5-fluoroanilino)-2-oxoethyl]cyclopentyl]acetic acid
CID 103750559
3-(2,4-dibromoanilino)-3-oxopropanoic acid
CID 62230789
2-[1-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid
CID 8893573
2-[1-[2-(5-chloro-2-hydroxyanilino)-2-oxoethyl]cyclopentyl]acetic acid
CID 18877711
2-[1-[2-(2-fluoroanilino)-2-oxoethyl]cyclopentyl]acetic acid
CID 60662542
2-[1-[2-(2-aminoanilino)-2-oxoethyl]cyclohexyl]acetic acid
CID 61403615
1-amino-N-(2,4-dibromophenyl)cyclohexane-1-carboxamide
CID 43702659
1-(aminomethyl)-N-(2,4-dibromophenyl)cycloheptane-1-carboxamide
CID 115443809
2-[1-(aminomethyl)cyclobutyl]-N-(5-bromo-2-cyanophenyl)acetamide
CID 107798155
2-[1-[2-[(3-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 63671201
1-[2-(4-bromo-2-ethylanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 81287082

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2,4-dibromoanilino)-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-(2,4-dibromoanilino)-2-oxoethyl]cyclopentyl]acetic acid (CID 60662604) is 2-[1-[2-(2,4-dibromoanilino)-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(2,4-dibromoanilino)-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-(2,4-dibromoanilino)-2-oxoethyl]cyclopentyl]acetic acid is O=C(O)CC1(CC(=O)Nc2ccc(Br)cc2Br)CCCC1.
What is the InChIKey of 2-[1-[2-(2,4-dibromoanilino)-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is SQUFWRVJBRRZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Br2NO3/c16-10-3-4-12(11(17)7-10)18-13(19)8-15(9-14(20)21)5-1-2-6-15/h3-4,7H,1-2,5-6,8-9H2,(H,18,19)(H,20,21).
What are the key properties of 2-[1-[2-(2,4-dibromoanilino)-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-(2,4-dibromoanilino)-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 419.11 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2,4-dibromoanilino)-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 60662604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).