7-[(5-fluoro-2-methylbenzoyl)amino]heptanoic acid

C15H20FNO3 — CID 62034426

IUPAC7-[(5-fluoro-2-methylbenzoyl)amino]heptanoic acid
SMILESCc1ccc(F)cc1C(=O)NCCCCCCC(=O)O
InChIInChI=1S/C15H20FNO3/c1-11-7-8-12(16)10-13(11)15(20)17-9-5-3-2-4-6-14(18)19/h7-8,10H,2-6,9H2,1H3,(H,17,20)(H,18,19)
InChIKeyZJBNVHMNIRMFDO-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.90
Rot. Bonds8

About 7-[(5-fluoro-2-methylbenzoyl)amino]heptanoic acid

7-[(5-fluoro-2-methylbenzoyl)amino]heptanoic acid (PubChem CID 62034426) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 7-[(5-fluoro-2-methylbenzoyl)amino]heptanoic acid.

Molecular Properties

Compound Name7-[(5-fluoro-2-methylbenzoyl)amino]heptanoic acid
PubChem CID62034426
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name7-[(5-fluoro-2-methylbenzoyl)amino]heptanoic acid
SMILESCc1ccc(F)cc1C(=O)NCCCCCCC(=O)O
InChIInChI=1S/C15H20FNO3/c1-11-7-8-12(16)10-13(11)15(20)17-9-5-3-2-4-6-14(18)19/h7-8,10H,2-6,9H2,1H3,(H,17,20)(H,18,19)
InChIKeyZJBNVHMNIRMFDO-UHFFFAOYSA-N
XLogP2.90
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.90
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

N-(5-amino-5-oxopentyl)-5-fluoro-2-methylbenzamide
CID 84594465
5-fluoro-N-(6-hydroxyhexyl)-2-methylbenzamide
CID 103919616
8-[(2-amino-5-fluorobenzoyl)amino]octanoic acid
CID 54514696
N-(4-bromobutyl)-5-fluoro-2-methylbenzamide
CID 106845986
8-[[5-fluoro-2-(methanesulfonamido)benzoyl]amino]octanoic acid
CID 120535606
6-[(2-chloro-4-fluorobenzoyl)amino]hexanoic acid
CID 16782062
5-[(5-bromo-2-methylbenzoyl)amino]pentanoic acid
CID 65308128
12-[(2-methylbenzoyl)amino]dodecanoic acid
CID 10759093
6-[(2-methyl-5-methylsulfonylbenzoyl)amino]hexanoic acid
CID 119219761
5-fluoro-2-methyl-N-pent-4-ynylbenzamide
CID 103708979
6-[(3-fluoro-4-methylbenzoyl)amino]hexanoic acid
CID 16787400
4-[(4-fluoro-2-hydroxybenzoyl)amino]butanoic acid
CID 107013327

Frequently Asked Questions

What is the IUPAC name of 7-[(5-fluoro-2-methylbenzoyl)amino]heptanoic acid?
The IUPAC name of 7-[(5-fluoro-2-methylbenzoyl)amino]heptanoic acid (CID 62034426) is 7-[(5-fluoro-2-methylbenzoyl)amino]heptanoic acid.
What is the SMILES notation for 7-[(5-fluoro-2-methylbenzoyl)amino]heptanoic acid?
The canonical SMILES for 7-[(5-fluoro-2-methylbenzoyl)amino]heptanoic acid is Cc1ccc(F)cc1C(=O)NCCCCCCC(=O)O.
What is the InChIKey of 7-[(5-fluoro-2-methylbenzoyl)amino]heptanoic acid?
The InChIKey is ZJBNVHMNIRMFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-11-7-8-12(16)10-13(11)15(20)17-9-5-3-2-4-6-14(18)19/h7-8,10H,2-6,9H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 7-[(5-fluoro-2-methylbenzoyl)amino]heptanoic acid?
7-[(5-fluoro-2-methylbenzoyl)amino]heptanoic acid has a molecular weight of 281.33 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-fluoro-2-methylbenzoyl)amino]heptanoic acid is sourced from PubChem (CID 62034426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).