2-fluoro-4-methyl-N-pentylbenzamide

C13H18FNO — CID 79770349

IUPAC2-fluoro-4-methyl-N-pentylbenzamide
SMILESCCCCCNC(=O)c1ccc(C)cc1F
InChIInChI=1S/C13H18FNO/c1-3-4-5-8-15-13(16)11-7-6-10(2)9-12(11)14/h6-7,9H,3-5,8H2,1-2H3,(H,15,16)
InChIKeyKVXXRVSBNPWUBS-UHFFFAOYSA-N
MW223.29 g/mol
LogP3.05
Rot. Bonds5

About 2-fluoro-4-methyl-N-pentylbenzamide

2-fluoro-4-methyl-N-pentylbenzamide (PubChem CID 79770349) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-fluoro-4-methyl-N-pentylbenzamide.

Molecular Properties

Compound Name2-fluoro-4-methyl-N-pentylbenzamide
PubChem CID79770349
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name2-fluoro-4-methyl-N-pentylbenzamide
SMILESCCCCCNC(=O)c1ccc(C)cc1F
InChIInChI=1S/C13H18FNO/c1-3-4-5-8-15-13(16)11-7-6-10(2)9-12(11)14/h6-7,9H,3-5,8H2,1-2H3,(H,15,16)
InChIKeyKVXXRVSBNPWUBS-UHFFFAOYSA-N
XLogP3.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-fluoro-4-methyl-N-pentylbenzamide 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

N-(5-chloropentyl)-2-fluoro-4-methylbenzamide
CID 107320953
2-fluoro-N-(5-iodopentyl)-4-methylbenzamide
CID 107322226
2-fluoro-4-methyl-N-(3-propoxypropyl)benzamide
CID 82941071
2-fluoro-4-methyl-N-(5-methylhexyl)benzamide
CID 79790982
2-chloro-4-methyl-N-pentylbenzamide
CID 99835956
2-bromo-N-hexyl-5-methylbenzamide
CID 80980200
2-hydroxy-4-methyl-N-octylbenzamide
CID 115568594
4-[(2-fluoro-4-methylbenzoyl)amino]-2,2-dimethylbutanoic acid
CID 114285479
2,3-difluoro-N-pentylbenzamide
CID 62649821
2-fluoro-4-methyl-N-(2-methylsulfinylethyl)benzamide
CID 115678998
2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-pentylbenzamide
CID 60817068
2-[(2-fluoro-4-methylbenzoyl)amino]ethyl carbamate
CID 83210328

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-N-pentylbenzamide?
The IUPAC name of 2-fluoro-4-methyl-N-pentylbenzamide (CID 79770349) is 2-fluoro-4-methyl-N-pentylbenzamide.
What is the SMILES notation for 2-fluoro-4-methyl-N-pentylbenzamide?
The canonical SMILES for 2-fluoro-4-methyl-N-pentylbenzamide is CCCCCNC(=O)c1ccc(C)cc1F.
What is the InChIKey of 2-fluoro-4-methyl-N-pentylbenzamide?
The InChIKey is KVXXRVSBNPWUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-3-4-5-8-15-13(16)11-7-6-10(2)9-12(11)14/h6-7,9H,3-5,8H2,1-2H3,(H,15,16).
What are the key properties of 2-fluoro-4-methyl-N-pentylbenzamide?
2-fluoro-4-methyl-N-pentylbenzamide has a molecular weight of 223.29 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-N-pentylbenzamide is sourced from PubChem (CID 79770349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).