2-[1-[(2-chloro-4,5-difluorobenzoyl)amino]cyclopentyl]acetic acid

C14H14ClF2NO3 — CID 64672784

IUPAC2-[1-[(2-chloro-4,5-difluorobenzoyl)amino]cyclopentyl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2cc(F)c(F)cc2Cl)CCCC1
InChIInChI=1S/C14H14ClF2NO3/c15-9-6-11(17)10(16)5-8(9)13(21)18-14(7-12(19)20)3-1-2-4-14/h5-6H,1-4,7H2,(H,18,21)(H,19,20)
InChIKeyIUAGKFZMRJLMST-UHFFFAOYSA-N
MW317.72 g/mol
LogP3.14
Rot. Bonds4

About 2-[1-[(2-chloro-4,5-difluorobenzoyl)amino]cyclopentyl]acetic acid

2-[1-[(2-chloro-4,5-difluorobenzoyl)amino]cyclopentyl]acetic acid (PubChem CID 64672784) has the molecular formula C14H14ClF2NO3 and a molecular weight of 317.72 g/mol. Its IUPAC name is 2-[1-[(2-chloro-4,5-difluorobenzoyl)amino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-chloro-4,5-difluorobenzoyl)amino]cyclopentyl]acetic acid
PubChem CID64672784
Molecular FormulaC14H14ClF2NO3
Molecular Weight317.72 g/mol
Exact Mass317.06
IUPAC Name2-[1-[(2-chloro-4,5-difluorobenzoyl)amino]cyclopentyl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2cc(F)c(F)cc2Cl)CCCC1
InChIInChI=1S/C14H14ClF2NO3/c15-9-6-11(17)10(16)5-8(9)13(21)18-14(7-12(19)20)3-1-2-4-14/h5-6H,1-4,7H2,(H,18,21)(H,19,20)
InChIKeyIUAGKFZMRJLMST-UHFFFAOYSA-N
XLogP3.14
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.72
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-[1-[(2,4-dichloro-5-fluorobenzoyl)amino]cyclobutyl]acetic acid
CID 79848631
2-chloro-4,5-difluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 113337541
2-[1-[(2-chloro-5-hydroxybenzoyl)amino]cyclopentyl]acetic acid
CID 106500317
2-[1-[(4-chloro-2-hydroxybenzoyl)amino]cyclopentyl]acetic acid
CID 64672384
2-[1-[(2-chloro-5-methylsulfanylbenzoyl)amino]cyclobutyl]acetic acid
CID 79848323
2-[1-[(4-bromo-2-chlorobenzoyl)amino]cyclobutyl]acetic acid
CID 79849405
2-[1-[(4-chloro-2-hydroxybenzoyl)amino]cyclohexyl]acetic acid
CID 64671169
2,4-dichloro-5-fluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 115764766
N-[1-(bromomethyl)cyclopentyl]-4-chloro-2,5-difluorobenzamide
CID 82773291
2-[1-[(2,4-difluorobenzoyl)amino]cyclobutyl]acetic acid
CID 79848237
2-[1-[(5-chloro-2-iodobenzoyl)amino]cyclohexyl]acetic acid
CID 103790760
2-[1-[(2,5-dichlorothiophene-3-carbonyl)amino]cyclobutyl]acetic acid
CID 103790771

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-chloro-4,5-difluorobenzoyl)amino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[(2-chloro-4,5-difluorobenzoyl)amino]cyclopentyl]acetic acid (CID 64672784) is 2-[1-[(2-chloro-4,5-difluorobenzoyl)amino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[(2-chloro-4,5-difluorobenzoyl)amino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[(2-chloro-4,5-difluorobenzoyl)amino]cyclopentyl]acetic acid is O=C(O)CC1(NC(=O)c2cc(F)c(F)cc2Cl)CCCC1.
What is the InChIKey of 2-[1-[(2-chloro-4,5-difluorobenzoyl)amino]cyclopentyl]acetic acid?
The InChIKey is IUAGKFZMRJLMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF2NO3/c15-9-6-11(17)10(16)5-8(9)13(21)18-14(7-12(19)20)3-1-2-4-14/h5-6H,1-4,7H2,(H,18,21)(H,19,20).
What are the key properties of 2-[1-[(2-chloro-4,5-difluorobenzoyl)amino]cyclopentyl]acetic acid?
2-[1-[(2-chloro-4,5-difluorobenzoyl)amino]cyclopentyl]acetic acid has a molecular weight of 317.72 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-chloro-4,5-difluorobenzoyl)amino]cyclopentyl]acetic acid is sourced from PubChem (CID 64672784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).