3-fluoro-4-methyl-N-(1-pyridin-3-ylpropyl)benzamide

C16H17FN2O — CID 91796729

IUPAC3-fluoro-4-methyl-N-(1-pyridin-3-ylpropyl)benzamide
SMILESCCC(NC(=O)c1ccc(C)c(F)c1)c1cccnc1
InChIInChI=1S/C16H17FN2O/c1-3-15(13-5-4-8-18-10-13)19-16(20)12-7-6-11(2)14(17)9-12/h4-10,15H,3H2,1-2H3,(H,19,20)
InChIKeyDOOQHULPKHTNCQ-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.41
Rot. Bonds4

About 3-fluoro-4-methyl-N-(1-pyridin-3-ylpropyl)benzamide

3-fluoro-4-methyl-N-(1-pyridin-3-ylpropyl)benzamide (PubChem CID 91796729) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-(1-pyridin-3-ylpropyl)benzamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-(1-pyridin-3-ylpropyl)benzamide
PubChem CID91796729
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name3-fluoro-4-methyl-N-(1-pyridin-3-ylpropyl)benzamide
SMILESCCC(NC(=O)c1ccc(C)c(F)c1)c1cccnc1
InChIInChI=1S/C16H17FN2O/c1-3-15(13-5-4-8-18-10-13)19-16(20)12-7-6-11(2)14(17)9-12/h4-10,15H,3H2,1-2H3,(H,19,20)
InChIKeyDOOQHULPKHTNCQ-UHFFFAOYSA-N
XLogP3.41
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-fluoro-4-methyl-N-(1-pyridin-3-ylpropyl)benzamide 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

3-[(3-fluoro-4-methylbenzoyl)amino]-3-phenylpropanoic acid
CID 16777891
3,4-difluoro-N-(1-pyridin-3-ylethyl)benzamide
CID 110724487
4-amino-3-fluoro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 81404468
3,4,5-trifluoro-N-(1-phenylpropyl)benzamide
CID 63189526
2-(3,6-dimethyl-2-oxo-1-pyridinyl)-N-[(1S)-1-pyridin-3-ylpropyl]acetamide
CID 59951658
3-amino-4-methyl-N-(1-phenylpropyl)benzamide
CID 62304004
4-bromo-N-[1-(3-chlorophenyl)propyl]-3-fluorobenzamide
CID 63526336
(2S)-2-[(3-fluoro-4-methylbenzoyl)amino]-2-phenylacetic acid
CID 30045725
N-[1-(3,4-dimethoxyphenyl)propyl]-3,4-dimethylbenzamide
CID 133201858
N-[(1S)-1-(2,4-dimethylphenyl)propyl]pyridine-3-carboxamide
CID 100629953
4-chloro-N-[(1S)-1-(3,4-dimethylphenyl)propyl]benzamide
CID 99994348
3-methoxy-4-methyl-N-(1-pyridin-3-ylethyl)benzamide
CID 18163096

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-(1-pyridin-3-ylpropyl)benzamide?
The IUPAC name of 3-fluoro-4-methyl-N-(1-pyridin-3-ylpropyl)benzamide (CID 91796729) is 3-fluoro-4-methyl-N-(1-pyridin-3-ylpropyl)benzamide.
What is the SMILES notation for 3-fluoro-4-methyl-N-(1-pyridin-3-ylpropyl)benzamide?
The canonical SMILES for 3-fluoro-4-methyl-N-(1-pyridin-3-ylpropyl)benzamide is CCC(NC(=O)c1ccc(C)c(F)c1)c1cccnc1.
What is the InChIKey of 3-fluoro-4-methyl-N-(1-pyridin-3-ylpropyl)benzamide?
The InChIKey is DOOQHULPKHTNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-3-15(13-5-4-8-18-10-13)19-16(20)12-7-6-11(2)14(17)9-12/h4-10,15H,3H2,1-2H3,(H,19,20).
What are the key properties of 3-fluoro-4-methyl-N-(1-pyridin-3-ylpropyl)benzamide?
3-fluoro-4-methyl-N-(1-pyridin-3-ylpropyl)benzamide has a molecular weight of 272.32 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-N-(1-pyridin-3-ylpropyl)benzamide is sourced from PubChem (CID 91796729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).