4-[[1-(aminomethyl)cyclopropyl]methylamino]-3-fluorobenzamide

C12H16FN3O — CID 112748882

IUPAC4-[[1-(aminomethyl)cyclopropyl]methylamino]-3-fluorobenzamide
SMILESNCC1(CNc2ccc(C(N)=O)cc2F)CC1
InChIInChI=1S/C12H16FN3O/c13-9-5-8(11(15)17)1-2-10(9)16-7-12(6-14)3-4-12/h1-2,5,16H,3-4,6-7,14H2,(H2,15,17)
InChIKeyCYNPYXVSDARZHE-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.08
Rot. Bonds5

About 4-[[1-(aminomethyl)cyclopropyl]methylamino]-3-fluorobenzamide

4-[[1-(aminomethyl)cyclopropyl]methylamino]-3-fluorobenzamide (PubChem CID 112748882) has the molecular formula C12H16FN3O and a molecular weight of 237.28 g/mol. Its IUPAC name is 4-[[1-(aminomethyl)cyclopropyl]methylamino]-3-fluorobenzamide.

Molecular Properties

Compound Name4-[[1-(aminomethyl)cyclopropyl]methylamino]-3-fluorobenzamide
PubChem CID112748882
Molecular FormulaC12H16FN3O
Molecular Weight237.28 g/mol
Exact Mass237.13
IUPAC Name4-[[1-(aminomethyl)cyclopropyl]methylamino]-3-fluorobenzamide
SMILESNCC1(CNc2ccc(C(N)=O)cc2F)CC1
InChIInChI=1S/C12H16FN3O/c13-9-5-8(11(15)17)1-2-10(9)16-7-12(6-14)3-4-12/h1-2,5,16H,3-4,6-7,14H2,(H2,15,17)
InChIKeyCYNPYXVSDARZHE-UHFFFAOYSA-N
XLogP1.08
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[[1-(aminomethyl)cyclopropyl]methylamino]-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

N-[[1-(aminomethyl)cyclopropyl]methyl]-2-fluoro-4-(trifluoromethyl)aniline
CID 107304222
3-fluoro-4-[[1-(hydroxymethyl)cyclohexyl]methylamino]benzoic acid
CID 103968375
4-[(1-ethylcyclobutyl)methylamino]-3-fluorobenzoic acid
CID 114109711
4-[(1-amino-2-methylpropan-2-yl)amino]-3-fluorobenzamide
CID 63194773
4-[2-(cyclopropylamino)ethylamino]-3-fluorobenzamide
CID 55101083
4-(4-carbamoyl-2-fluoroanilino)butanoic acid
CID 43656925
N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-difluorobenzamide
CID 115365383
3-fluoro-4-(2-pyrrolidin-3-ylethylamino)benzamide
CID 63623074
3-fluoro-4-[(1-methylcyclopentyl)methylamino]benzoic acid
CID 63831279
4-[3-(ethylamino)propylamino]-3-fluorobenzamide
CID 54906629
4-[2-(cyclohexen-1-yl)ethylamino]-3-fluorobenzamide
CID 126811874
ethyl 3-[1-[(2-fluoro-4-methylanilino)methyl]cyclopropyl]propanoate
CID 144760013

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(aminomethyl)cyclopropyl]methylamino]-3-fluorobenzamide?
The IUPAC name of 4-[[1-(aminomethyl)cyclopropyl]methylamino]-3-fluorobenzamide (CID 112748882) is 4-[[1-(aminomethyl)cyclopropyl]methylamino]-3-fluorobenzamide.
What is the SMILES notation for 4-[[1-(aminomethyl)cyclopropyl]methylamino]-3-fluorobenzamide?
The canonical SMILES for 4-[[1-(aminomethyl)cyclopropyl]methylamino]-3-fluorobenzamide is NCC1(CNc2ccc(C(N)=O)cc2F)CC1.
What is the InChIKey of 4-[[1-(aminomethyl)cyclopropyl]methylamino]-3-fluorobenzamide?
The InChIKey is CYNPYXVSDARZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O/c13-9-5-8(11(15)17)1-2-10(9)16-7-12(6-14)3-4-12/h1-2,5,16H,3-4,6-7,14H2,(H2,15,17).
What are the key properties of 4-[[1-(aminomethyl)cyclopropyl]methylamino]-3-fluorobenzamide?
4-[[1-(aminomethyl)cyclopropyl]methylamino]-3-fluorobenzamide has a molecular weight of 237.28 g/mol, XLogP of 1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(aminomethyl)cyclopropyl]methylamino]-3-fluorobenzamide is sourced from PubChem (CID 112748882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).