2-[[4-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]benzoyl]amino]acetic acid

C21H21FN2O4 — CID 45435122

IUPAC2-[[4-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]benzoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(NC(=O)C2(c3cccc(F)c3)CCCC2)cc1
InChIInChI=1S/C21H21FN2O4/c22-16-5-3-4-15(12-16)21(10-1-2-11-21)20(28)24-17-8-6-14(7-9-17)19(27)23-13-18(25)26/h3-9,12H,1-2,10-11,13H2,(H,23,27)(H,24,28)(H,25,26)
InChIKeyNYGBLFQHNZHZOK-UHFFFAOYSA-N
MW384.41 g/mol
LogP3.09
Rot. Bonds6

About 2-[[4-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]benzoyl]amino]acetic acid

2-[[4-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]benzoyl]amino]acetic acid (PubChem CID 45435122) has the molecular formula C21H21FN2O4 and a molecular weight of 384.41 g/mol. Its IUPAC name is 2-[[4-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]benzoyl]amino]acetic acid
PubChem CID45435122
Molecular FormulaC21H21FN2O4
Molecular Weight384.41 g/mol
Exact Mass384.15
IUPAC Name2-[[4-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]benzoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(NC(=O)C2(c3cccc(F)c3)CCCC2)cc1
InChIInChI=1S/C21H21FN2O4/c22-16-5-3-4-15(12-16)21(10-1-2-11-21)20(28)24-17-8-6-14(7-9-17)19(27)23-13-18(25)26/h3-9,12H,1-2,10-11,13H2,(H,23,27)(H,24,28)(H,25,26)
InChIKeyNYGBLFQHNZHZOK-UHFFFAOYSA-N
XLogP3.09
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]acetic acid
CID 119171698
N,N-diethyl-4-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]benzamide
CID 26899763
methyl 2-[[3-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]benzoyl]amino]acetate
CID 60556072
2-[[4-[(3-fluorobenzoyl)amino]benzoyl]amino]acetic acid
CID 45434759
2-[[2-[4-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224606
4-[[1-(3-bromophenyl)cyclopentanecarbonyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 112815054
N-(3-acetamidophenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 26114516
2-[[2-[4-[[1-(3-chlorophenyl)cyclopropanecarbonyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224522
N-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 26364802
1-(3-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)cyclopentane-1-carboxamide
CID 9453348
2-[[4-[(1-aminocyclobutanecarbonyl)amino]benzoyl]amino]acetic acid
CID 81173192
1-(3-fluorophenyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 110904346

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]benzoyl]amino]acetic acid?
The IUPAC name of 2-[[4-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]benzoyl]amino]acetic acid (CID 45435122) is 2-[[4-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[4-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]benzoyl]amino]acetic acid is O=C(O)CNC(=O)c1ccc(NC(=O)C2(c3cccc(F)c3)CCCC2)cc1.
What is the InChIKey of 2-[[4-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]benzoyl]amino]acetic acid?
The InChIKey is NYGBLFQHNZHZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O4/c22-16-5-3-4-15(12-16)21(10-1-2-11-21)20(28)24-17-8-6-14(7-9-17)19(27)23-13-18(25)26/h3-9,12H,1-2,10-11,13H2,(H,23,27)(H,24,28)(H,25,26).
What are the key properties of 2-[[4-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]benzoyl]amino]acetic acid?
2-[[4-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]benzoyl]amino]acetic acid has a molecular weight of 384.41 g/mol, XLogP of 3.09, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]benzoyl]amino]acetic acid is sourced from PubChem (CID 45435122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).