2-[(5-chloro-2-fluorobenzoyl)amino]pentanoic acid

C12H13ClFNO3 — CID 43630351

IUPAC2-[(5-chloro-2-fluorobenzoyl)amino]pentanoic acid
SMILESCCCC(NC(=O)c1cc(Cl)ccc1F)C(=O)O
InChIInChI=1S/C12H13ClFNO3/c1-2-3-10(12(17)18)15-11(16)8-6-7(13)4-5-9(8)14/h4-6,10H,2-3H2,1H3,(H,15,16)(H,17,18)
InChIKeyRYBGOICYVZKTMC-UHFFFAOYSA-N
MW273.69 g/mol
LogP2.46
Rot. Bonds5

About 2-[(5-chloro-2-fluorobenzoyl)amino]pentanoic acid

2-[(5-chloro-2-fluorobenzoyl)amino]pentanoic acid (PubChem CID 43630351) has the molecular formula C12H13ClFNO3 and a molecular weight of 273.69 g/mol. Its IUPAC name is 2-[(5-chloro-2-fluorobenzoyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(5-chloro-2-fluorobenzoyl)amino]pentanoic acid
PubChem CID43630351
Molecular FormulaC12H13ClFNO3
Molecular Weight273.69 g/mol
Exact Mass273.06
IUPAC Name2-[(5-chloro-2-fluorobenzoyl)amino]pentanoic acid
SMILESCCCC(NC(=O)c1cc(Cl)ccc1F)C(=O)O
InChIInChI=1S/C12H13ClFNO3/c1-2-3-10(12(17)18)15-11(16)8-6-7(13)4-5-9(8)14/h4-6,10H,2-3H2,1H3,(H,15,16)(H,17,18)
InChIKeyRYBGOICYVZKTMC-UHFFFAOYSA-N
XLogP2.46
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.69
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-chloro-2-fluorobenzoyl)amino]-4-methylsulfonylbutanoic acid
CID 43102072
(2R)-2-[(2-bromo-5-chlorobenzoyl)amino]pentanoic acid
CID 99851723
N-(1-amino-1-sulfanylidenepentan-2-yl)-5-chloro-2-fluorobenzamide
CID 61120893
(2R)-2-[(4-chloro-2-methylbenzoyl)amino]pentanoic acid
CID 114027907
(2S)-2-[(2,4-difluorobenzoyl)amino]pentanoic acid
CID 107564266
(2S)-2-[(2-fluoro-5-methylbenzoyl)amino]hexanoic acid
CID 107144143
(2R)-2-[(5-chloro-2-methylbenzoyl)amino]-4-hydroxybutanoic acid
CID 107822930
(2S)-2-[(2-chloro-5-fluoropyridine-3-carbonyl)amino]pentanoic acid
CID 114037285
2-[(2-chloro-5-fluoropyridine-3-carbonyl)amino]pentanoic acid
CID 114036486
(2S)-2-[(6-chloro-2H-chromene-3-carbonyl)amino]pentanoic acid
CID 107563784
2-[(2-bromo-4-fluorobenzoyl)amino]pentanoic acid
CID 43630288
2-[(2,5-difluorobenzoyl)amino]-4-methoxybutanoic acid
CID 55076044

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-fluorobenzoyl)amino]pentanoic acid?
The IUPAC name of 2-[(5-chloro-2-fluorobenzoyl)amino]pentanoic acid (CID 43630351) is 2-[(5-chloro-2-fluorobenzoyl)amino]pentanoic acid.
What is the SMILES notation for 2-[(5-chloro-2-fluorobenzoyl)amino]pentanoic acid?
The canonical SMILES for 2-[(5-chloro-2-fluorobenzoyl)amino]pentanoic acid is CCCC(NC(=O)c1cc(Cl)ccc1F)C(=O)O.
What is the InChIKey of 2-[(5-chloro-2-fluorobenzoyl)amino]pentanoic acid?
The InChIKey is RYBGOICYVZKTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO3/c1-2-3-10(12(17)18)15-11(16)8-6-7(13)4-5-9(8)14/h4-6,10H,2-3H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(5-chloro-2-fluorobenzoyl)amino]pentanoic acid?
2-[(5-chloro-2-fluorobenzoyl)amino]pentanoic acid has a molecular weight of 273.69 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-fluorobenzoyl)amino]pentanoic acid is sourced from PubChem (CID 43630351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).