4-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methylphenyl)benzamide

C17H15FN2O — CID 62813798

IUPAC4-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methylphenyl)benzamide
SMILESCc1cc(NC(=O)c2ccc(C#CCN)cc2)ccc1F
InChIInChI=1S/C17H15FN2O/c1-12-11-15(8-9-16(12)18)20-17(21)14-6-4-13(5-7-14)3-2-10-19/h4-9,11H,10,19H2,1H3,(H,20,21)
InChIKeyLPLNXFSETWGGLQ-UHFFFAOYSA-N
MW282.32 g/mol
LogP2.70
Rot. Bonds2

About 4-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methylphenyl)benzamide

4-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methylphenyl)benzamide (PubChem CID 62813798) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 4-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methylphenyl)benzamide.

Molecular Properties

Compound Name4-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methylphenyl)benzamide
PubChem CID62813798
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name4-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methylphenyl)benzamide
SMILESCc1cc(NC(=O)c2ccc(C#CCN)cc2)ccc1F
InChIInChI=1S/C17H15FN2O/c1-12-11-15(8-9-16(12)18)20-17(21)14-6-4-13(5-7-14)3-2-10-19/h4-9,11H,10,19H2,1H3,(H,20,21)
InChIKeyLPLNXFSETWGGLQ-UHFFFAOYSA-N
XLogP2.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methylphenyl)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

N-[4-(3-aminoprop-1-ynyl)phenyl]-4-fluoro-3-methylbenzamide
CID 63211851
5-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methylphenyl)pyridine-2-carboxamide
CID 62952492
N-[4-(3-aminoprop-1-ynyl)phenyl]-4-methylsulfanylbenzamide
CID 79214098
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-4-fluoro-3-methylbenzamide
CID 102821459
N-[4-(3-aminoprop-1-ynyl)phenyl]-5-chloro-2-methylbenzamide
CID 82874678
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-4-chlorobenzamide
CID 60813543
N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]-4-methylbenzamide
CID 63334244
4-(3-aminoprop-1-ynyl)-N-(2,4-dimethylphenyl)benzamide
CID 60821609
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-4-hydroxybenzamide
CID 65436068
N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110776367
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-methylfuran-3-carboxamide
CID 114822227
N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]benzamide
CID 63334197

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methylphenyl)benzamide?
The IUPAC name of 4-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methylphenyl)benzamide (CID 62813798) is 4-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methylphenyl)benzamide.
What is the SMILES notation for 4-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methylphenyl)benzamide?
The canonical SMILES for 4-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methylphenyl)benzamide is Cc1cc(NC(=O)c2ccc(C#CCN)cc2)ccc1F.
What is the InChIKey of 4-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methylphenyl)benzamide?
The InChIKey is LPLNXFSETWGGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-12-11-15(8-9-16(12)18)20-17(21)14-6-4-13(5-7-14)3-2-10-19/h4-9,11H,10,19H2,1H3,(H,20,21).
What are the key properties of 4-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methylphenyl)benzamide?
4-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methylphenyl)benzamide has a molecular weight of 282.32 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methylphenyl)benzamide is sourced from PubChem (CID 62813798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).