4-[(2-fluoro-5-methylbenzoyl)amino]butanoic acid

C12H14FNO3 — CID 62514075

IUPAC4-[(2-fluoro-5-methylbenzoyl)amino]butanoic acid
SMILESCc1ccc(F)c(C(=O)NCCCC(=O)O)c1
InChIInChI=1S/C12H14FNO3/c1-8-4-5-10(13)9(7-8)12(17)14-6-2-3-11(15)16/h4-5,7H,2-3,6H2,1H3,(H,14,17)(H,15,16)
InChIKeyCXUPCAWJXXHTPG-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.73
Rot. Bonds5

About 4-[(2-fluoro-5-methylbenzoyl)amino]butanoic acid

4-[(2-fluoro-5-methylbenzoyl)amino]butanoic acid (PubChem CID 62514075) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is 4-[(2-fluoro-5-methylbenzoyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(2-fluoro-5-methylbenzoyl)amino]butanoic acid
PubChem CID62514075
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC Name4-[(2-fluoro-5-methylbenzoyl)amino]butanoic acid
SMILESCc1ccc(F)c(C(=O)NCCCC(=O)O)c1
InChIInChI=1S/C12H14FNO3/c1-8-4-5-10(13)9(7-8)12(17)14-6-2-3-11(15)16/h4-5,7H,2-3,6H2,1H3,(H,14,17)(H,15,16)
InChIKeyCXUPCAWJXXHTPG-UHFFFAOYSA-N
XLogP1.73
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-(2-hydroxyethyl)-5-methylbenzamide
CID 62511184
2-fluoro-5-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62659559
(2S)-4-[(2-fluoro-5-methylbenzoyl)amino]-2-hydroxybutanoic acid
CID 114006664
4-[(2-fluoro-5-methylbenzoyl)amino]-2-hydroxybutanoic acid
CID 107832609
6-[[2-fluoro-4-(4-methylphenyl)benzoyl]amino]hexanoic acid
CID 119220141
N-[3-(tert-butylamino)-3-oxopropyl]-2-fluoro-5-methylbenzamide
CID 115609087
N-[2-(3,5-difluorophenyl)ethyl]-2-fluoro-5-methylbenzamide
CID 62615072
N-[2-(diethylamino)ethyl]-2-fluoro-5-methylbenzamide
CID 62509349
2-fluoro-4-methyl-N-pentylbenzamide
CID 79770349
N-[2-(cyclopropanecarbonylamino)ethyl]-2-fluoro-5-methylbenzamide
CID 113230363
7-[(2-chloro-4-methylbenzoyl)amino]heptanoic acid
CID 106860475
2-fluoro-5-methyl-N-(3-phenylbutyl)benzamide
CID 62947552

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-5-methylbenzoyl)amino]butanoic acid?
The IUPAC name of 4-[(2-fluoro-5-methylbenzoyl)amino]butanoic acid (CID 62514075) is 4-[(2-fluoro-5-methylbenzoyl)amino]butanoic acid.
What is the SMILES notation for 4-[(2-fluoro-5-methylbenzoyl)amino]butanoic acid?
The canonical SMILES for 4-[(2-fluoro-5-methylbenzoyl)amino]butanoic acid is Cc1ccc(F)c(C(=O)NCCCC(=O)O)c1.
What is the InChIKey of 4-[(2-fluoro-5-methylbenzoyl)amino]butanoic acid?
The InChIKey is CXUPCAWJXXHTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3/c1-8-4-5-10(13)9(7-8)12(17)14-6-2-3-11(15)16/h4-5,7H,2-3,6H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 4-[(2-fluoro-5-methylbenzoyl)amino]butanoic acid?
4-[(2-fluoro-5-methylbenzoyl)amino]butanoic acid has a molecular weight of 239.25 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoro-5-methylbenzoyl)amino]butanoic acid is sourced from PubChem (CID 62514075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).