6-[[2-fluoro-4-(4-methylphenyl)benzoyl]amino]hexanoic acid

C20H22FNO3 — CID 119220141

IUPAC6-[[2-fluoro-4-(4-methylphenyl)benzoyl]amino]hexanoic acid
SMILESCc1ccc(-c2ccc(C(=O)NCCCCCC(=O)O)c(F)c2)cc1
InChIInChI=1S/C20H22FNO3/c1-14-6-8-15(9-7-14)16-10-11-17(18(21)13-16)20(25)22-12-4-2-3-5-19(23)24/h6-11,13H,2-5,12H2,1H3,(H,22,25)(H,23,24)
InChIKeyCKXLRXFSOSPETG-UHFFFAOYSA-N
MW343.40 g/mol
LogP4.18
Rot. Bonds8

About 6-[[2-fluoro-4-(4-methylphenyl)benzoyl]amino]hexanoic acid

6-[[2-fluoro-4-(4-methylphenyl)benzoyl]amino]hexanoic acid (PubChem CID 119220141) has the molecular formula C20H22FNO3 and a molecular weight of 343.40 g/mol. Its IUPAC name is 6-[[2-fluoro-4-(4-methylphenyl)benzoyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[2-fluoro-4-(4-methylphenyl)benzoyl]amino]hexanoic acid
PubChem CID119220141
Molecular FormulaC20H22FNO3
Molecular Weight343.40 g/mol
Exact Mass343.16
IUPAC Name6-[[2-fluoro-4-(4-methylphenyl)benzoyl]amino]hexanoic acid
SMILESCc1ccc(-c2ccc(C(=O)NCCCCCC(=O)O)c(F)c2)cc1
InChIInChI=1S/C20H22FNO3/c1-14-6-8-15(9-7-14)16-10-11-17(18(21)13-16)20(25)22-12-4-2-3-5-19(23)24/h6-11,13H,2-5,12H2,1H3,(H,22,25)(H,23,24)
InChIKeyCKXLRXFSOSPETG-UHFFFAOYSA-N
XLogP4.18
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-[[2-fluoro-4-(4-methylphenyl)benzoyl]amino]hexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-N-[3-(methylamino)propyl]-4-(4-methylphenyl)benzamide;hydrochloride
CID 119429870
7-[(2-chloro-4-methylbenzoyl)amino]heptanoic acid
CID 106860475
4-[(2-fluoro-5-methylbenzoyl)amino]butanoic acid
CID 62514075
7-[(2,3,4-trifluorobenzoyl)amino]heptanoic acid
CID 79757091
8-[(2-fluorobenzoyl)amino]octanoic acid;molecular hydrogen
CID 157344175
7-[(4-methylbenzoyl)amino]heptanoic acid
CID 24695278
N-(5-chloropentyl)-2-fluoro-4-methylbenzamide
CID 107320953
2-fluoro-N-(5-iodopentyl)-4-methylbenzamide
CID 107322226
7-[(5-fluoro-2-methylbenzoyl)amino]heptanoic acid
CID 62034426
2-fluoro-4-methyl-N-pentylbenzamide
CID 79770349
6-[(3-fluoro-4-methylbenzoyl)amino]hexanoic acid
CID 16787400
2-[[(1S)-1-carboxy-5-[(2-fluoro-4-methylbenzoyl)amino]pentyl]carbamoylamino]pentanedioic acid
CID 145069075

Frequently Asked Questions

What is the IUPAC name of 6-[[2-fluoro-4-(4-methylphenyl)benzoyl]amino]hexanoic acid?
The IUPAC name of 6-[[2-fluoro-4-(4-methylphenyl)benzoyl]amino]hexanoic acid (CID 119220141) is 6-[[2-fluoro-4-(4-methylphenyl)benzoyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[2-fluoro-4-(4-methylphenyl)benzoyl]amino]hexanoic acid?
The canonical SMILES for 6-[[2-fluoro-4-(4-methylphenyl)benzoyl]amino]hexanoic acid is Cc1ccc(-c2ccc(C(=O)NCCCCCC(=O)O)c(F)c2)cc1.
What is the InChIKey of 6-[[2-fluoro-4-(4-methylphenyl)benzoyl]amino]hexanoic acid?
The InChIKey is CKXLRXFSOSPETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO3/c1-14-6-8-15(9-7-14)16-10-11-17(18(21)13-16)20(25)22-12-4-2-3-5-19(23)24/h6-11,13H,2-5,12H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 6-[[2-fluoro-4-(4-methylphenyl)benzoyl]amino]hexanoic acid?
6-[[2-fluoro-4-(4-methylphenyl)benzoyl]amino]hexanoic acid has a molecular weight of 343.40 g/mol, XLogP of 4.18, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-fluoro-4-(4-methylphenyl)benzoyl]amino]hexanoic acid is sourced from PubChem (CID 119220141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).