2-[1-[2-[(2-chloro-4-fluorophenyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid

C16H19ClFNO3 — CID 45269801

IUPAC2-[1-[2-[(2-chloro-4-fluorophenyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NCc2ccc(F)cc2Cl)CCCC1
InChIInChI=1S/C16H19ClFNO3/c17-13-7-12(18)4-3-11(13)10-19-14(20)8-16(9-15(21)22)5-1-2-6-16/h3-4,7H,1-2,5-6,8-10H2,(H,19,20)(H,21,22)
InChIKeyPKVZQUGQHRWUCL-UHFFFAOYSA-N
MW327.78 g/mol
LogP3.52
Rot. Bonds6

About 2-[1-[2-[(2-chloro-4-fluorophenyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-[(2-chloro-4-fluorophenyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 45269801) has the molecular formula C16H19ClFNO3 and a molecular weight of 327.78 g/mol. Its IUPAC name is 2-[1-[2-[(2-chloro-4-fluorophenyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[(2-chloro-4-fluorophenyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID45269801
Molecular FormulaC16H19ClFNO3
Molecular Weight327.78 g/mol
Exact Mass327.10
IUPAC Name2-[1-[2-[(2-chloro-4-fluorophenyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NCc2ccc(F)cc2Cl)CCCC1
InChIInChI=1S/C16H19ClFNO3/c17-13-7-12(18)4-3-11(13)10-19-14(20)8-16(9-15(21)22)5-1-2-6-16/h3-4,7H,1-2,5-6,8-10H2,(H,19,20)(H,21,22)
InChIKeyPKVZQUGQHRWUCL-UHFFFAOYSA-N
XLogP3.52
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.78
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[2-[(3-Chlorophenyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid
CID 2738145
2-[1-[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid
CID 2738146
2-[1-[2-[(4-Fluorophenyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid
CID 2738268
8-(2-Chloro-6-fluorobenzamido)octanoic acid
CID 10663193
2-[1-[2-[(2-Fluorophenyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid
CID 2738147
5-[[1-[(2-Chloro-6-fluorophenyl)methyl]piperidin-4-yl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 2810692
2-[1-[2-[(2,4-Dichlorophenyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid
CID 8105898
2-((1-((4-Chlorophenethyl)carbamoyl)cyclopentyl)methyl)pentanoic acid
CID 11639199
2-[1-[2-[(2-Chlorophenyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid
CID 45268068
5-[(4-Chlorophenyl)methylamino]-3-methyl-5-oxopentanoic acid
CID 2732317
{1-[2-(Benzylamino)-2-oxoethyl]cyclopentyl}acetic acid
CID 938078
2-[1-[2-[(4-Methylphenyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid
CID 8105918

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[(2-chloro-4-fluorophenyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-[(2-chloro-4-fluorophenyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid (CID 45269801) is 2-[1-[2-[(2-chloro-4-fluorophenyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[(2-chloro-4-fluorophenyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-[(2-chloro-4-fluorophenyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid is O=C(O)CC1(CC(=O)NCc2ccc(F)cc2Cl)CCCC1.
What is the InChIKey of 2-[1-[2-[(2-chloro-4-fluorophenyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is PKVZQUGQHRWUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFNO3/c17-13-7-12(18)4-3-11(13)10-19-14(20)8-16(9-15(21)22)5-1-2-6-16/h3-4,7H,1-2,5-6,8-10H2,(H,19,20)(H,21,22).
What are the key properties of 2-[1-[2-[(2-chloro-4-fluorophenyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-[(2-chloro-4-fluorophenyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 327.78 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[(2-chloro-4-fluorophenyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 45269801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).