N-cyclopropyl-4-fluoro-3-(methylaminomethyl)benzamide;ethane

C14H21FN2O — CID 142344711

IUPACN-cyclopropyl-4-fluoro-3-(methylaminomethyl)benzamide;ethane
SMILESCC.CNCc1cc(C(=O)NC2CC2)ccc1F
InChIInChI=1S/C12H15FN2O.C2H6/c1-14-7-9-6-8(2-5-11(9)13)12(16)15-10-3-4-10;1-2/h2,5-6,10,14H,3-4,7H2,1H3,(H,15,16);1-2H3
InChIKeyBESGYGHVLCGDSJ-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.46
Rot. Bonds4

About N-cyclopropyl-4-fluoro-3-(methylaminomethyl)benzamide;ethane

N-cyclopropyl-4-fluoro-3-(methylaminomethyl)benzamide;ethane (PubChem CID 142344711) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is N-cyclopropyl-4-fluoro-3-(methylaminomethyl)benzamide;ethane.

Molecular Properties

Compound NameN-cyclopropyl-4-fluoro-3-(methylaminomethyl)benzamide;ethane
PubChem CID142344711
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC NameN-cyclopropyl-4-fluoro-3-(methylaminomethyl)benzamide;ethane
SMILESCC.CNCc1cc(C(=O)NC2CC2)ccc1F
InChIInChI=1S/C12H15FN2O.C2H6/c1-14-7-9-6-8(2-5-11(9)13)12(16)15-10-3-4-10;1-2/h2,5-6,10,14H,3-4,7H2,1H3,(H,15,16);1-2H3
InChIKeyBESGYGHVLCGDSJ-UHFFFAOYSA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-cyclopropyl-4-fluoro-3-(methylaminomethyl)benzamide;ethane 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

4-bromo-3-fluoro-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110825
N-(4-cyanocyclohexyl)-3,4-difluorobenzamide
CID 115270179
methyl 3-[[[5-(cyclopropylcarbamoyl)-2-pyridinyl]amino]methyl]-4-fluorobenzoate
CID 167979420
N-cyclopentyl-4-fluoro-3-methoxybenzamide
CID 80948074
N-cyclopropyl-3-ethyl-4-methoxybenzamide
CID 110761892
N-(4-chlorocyclohexyl)-4-fluoro-3-methoxybenzamide
CID 113271600
4-N-cyclopropyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-dicarboxamide
CID 109043298
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3,4,5-trifluorobenzamide
CID 66631543
N-(4-aminocyclohexyl)-4-fluoro-3-(methanesulfonamido)benzamide
CID 119475981
3-(cyclopropylsulfamoyl)-4-fluoro-N-(4-methylcyclohexyl)benzamide
CID 31966533
N-(1,1-dioxothian-4-yl)-4-fluoro-3-methylbenzamide
CID 63212616
4-fluoro-3-[[(3-methylcyclobutyl)amino]methyl]benzoic acid
CID 107453364

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-fluoro-3-(methylaminomethyl)benzamide;ethane?
The IUPAC name of N-cyclopropyl-4-fluoro-3-(methylaminomethyl)benzamide;ethane (CID 142344711) is N-cyclopropyl-4-fluoro-3-(methylaminomethyl)benzamide;ethane.
What is the SMILES notation for N-cyclopropyl-4-fluoro-3-(methylaminomethyl)benzamide;ethane?
The canonical SMILES for N-cyclopropyl-4-fluoro-3-(methylaminomethyl)benzamide;ethane is CC.CNCc1cc(C(=O)NC2CC2)ccc1F.
What is the InChIKey of N-cyclopropyl-4-fluoro-3-(methylaminomethyl)benzamide;ethane?
The InChIKey is BESGYGHVLCGDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O.C2H6/c1-14-7-9-6-8(2-5-11(9)13)12(16)15-10-3-4-10;1-2/h2,5-6,10,14H,3-4,7H2,1H3,(H,15,16);1-2H3.
What are the key properties of N-cyclopropyl-4-fluoro-3-(methylaminomethyl)benzamide;ethane?
N-cyclopropyl-4-fluoro-3-(methylaminomethyl)benzamide;ethane has a molecular weight of 252.33 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-fluoro-3-(methylaminomethyl)benzamide;ethane is sourced from PubChem (CID 142344711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).