4-[(2-cyclopropylpropylamino)methyl]-3-fluorobenzamide

C14H19FN2O — CID 113475198

IUPAC4-[(2-cyclopropylpropylamino)methyl]-3-fluorobenzamide
SMILESCC(CNCc1ccc(C(N)=O)cc1F)C1CC1
InChIInChI=1S/C14H19FN2O/c1-9(10-2-3-10)7-17-8-12-5-4-11(14(16)18)6-13(12)15/h4-6,9-10,17H,2-3,7-8H2,1H3,(H2,16,18)
InChIKeyJKDRENQHFDQJBA-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.06
Rot. Bonds6

About 4-[(2-cyclopropylpropylamino)methyl]-3-fluorobenzamide

4-[(2-cyclopropylpropylamino)methyl]-3-fluorobenzamide (PubChem CID 113475198) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 4-[(2-cyclopropylpropylamino)methyl]-3-fluorobenzamide.

Molecular Properties

Compound Name4-[(2-cyclopropylpropylamino)methyl]-3-fluorobenzamide
PubChem CID113475198
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name4-[(2-cyclopropylpropylamino)methyl]-3-fluorobenzamide
SMILESCC(CNCc1ccc(C(N)=O)cc1F)C1CC1
InChIInChI=1S/C14H19FN2O/c1-9(10-2-3-10)7-17-8-12-5-4-11(14(16)18)6-13(12)15/h4-6,9-10,17H,2-3,7-8H2,1H3,(H2,16,18)
InChIKeyJKDRENQHFDQJBA-UHFFFAOYSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[(2-cyclopropylpropylamino)methyl]-3-fluorobenzamide 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-[(2,3-dimethylbutylamino)methyl]-4-fluorobenzamide
CID 64570943
4-fluoro-3-[(2-methylsulfinylpropylamino)methyl]benzamide
CID 113484065
3-fluoro-4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]benzamide
CID 79357949
2-cyclopropyl-N-[(2,5-difluorophenyl)methyl]propan-1-amine
CID 115592592
3-fluoro-4-[[(4-methylcyclohexyl)amino]methyl]benzamide
CID 28579771
3-fluoro-4-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]benzamide
CID 114515450
2-[(4-carbamoyl-2-fluorophenyl)methylamino]-3-methylbutanoic acid
CID 43468217
4-[[3-(dimethylamino)propylamino]methyl]-3-fluorobenzamide
CID 28583705
4-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]-3-fluorobenzamide
CID 43566993
3-[(2-ethoxypropylamino)methyl]-4-fluorobenzamide
CID 113477255
4-[(tert-butylamino)methyl]-3-fluorobenzamide
CID 28586612
3-fluoro-4-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]benzamide
CID 65049143

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclopropylpropylamino)methyl]-3-fluorobenzamide?
The IUPAC name of 4-[(2-cyclopropylpropylamino)methyl]-3-fluorobenzamide (CID 113475198) is 4-[(2-cyclopropylpropylamino)methyl]-3-fluorobenzamide.
What is the SMILES notation for 4-[(2-cyclopropylpropylamino)methyl]-3-fluorobenzamide?
The canonical SMILES for 4-[(2-cyclopropylpropylamino)methyl]-3-fluorobenzamide is CC(CNCc1ccc(C(N)=O)cc1F)C1CC1.
What is the InChIKey of 4-[(2-cyclopropylpropylamino)methyl]-3-fluorobenzamide?
The InChIKey is JKDRENQHFDQJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-9(10-2-3-10)7-17-8-12-5-4-11(14(16)18)6-13(12)15/h4-6,9-10,17H,2-3,7-8H2,1H3,(H2,16,18).
What are the key properties of 4-[(2-cyclopropylpropylamino)methyl]-3-fluorobenzamide?
4-[(2-cyclopropylpropylamino)methyl]-3-fluorobenzamide has a molecular weight of 250.32 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclopropylpropylamino)methyl]-3-fluorobenzamide is sourced from PubChem (CID 113475198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).