N-[4-(aminomethyl)-2-fluorophenyl]-2,2-dimethylcyclopentane-1-carboxamide

C15H21FN2O — CID 107174661

IUPACN-[4-(aminomethyl)-2-fluorophenyl]-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC1(C)CCCC1C(=O)Nc1ccc(CN)cc1F
InChIInChI=1S/C15H21FN2O/c1-15(2)7-3-4-11(15)14(19)18-13-6-5-10(9-17)8-12(13)16/h5-6,8,11H,3-4,7,9,17H2,1-2H3,(H,18,19)
InChIKeyQLFWUZVCDONMTC-UHFFFAOYSA-N
MW264.34 g/mol
LogP3.05
Rot. Bonds3

About N-[4-(aminomethyl)-2-fluorophenyl]-2,2-dimethylcyclopentane-1-carboxamide

N-[4-(aminomethyl)-2-fluorophenyl]-2,2-dimethylcyclopentane-1-carboxamide (PubChem CID 107174661) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is N-[4-(aminomethyl)-2-fluorophenyl]-2,2-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-2-fluorophenyl]-2,2-dimethylcyclopentane-1-carboxamide
PubChem CID107174661
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC NameN-[4-(aminomethyl)-2-fluorophenyl]-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC1(C)CCCC1C(=O)Nc1ccc(CN)cc1F
InChIInChI=1S/C15H21FN2O/c1-15(2)7-3-4-11(15)14(19)18-13-6-5-10(9-17)8-12(13)16/h5-6,8,11H,3-4,7,9,17H2,1-2H3,(H,18,19)
InChIKeyQLFWUZVCDONMTC-UHFFFAOYSA-N
XLogP3.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[4-(aminomethyl)-2-fluorophenyl]-2,2-dimethylcyclopentane-1-carboxamide 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-(aminomethyl)-2-fluorophenyl]-2,2-dimethylcyclohexane-1-carboxamide
CID 107174662
5-[(2,2-dimethylcyclopentanecarbonyl)amino]-2,4-difluorobenzoic acid
CID 107175258
N-(4-fluoro-2-iodophenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104918053
N-(4-amino-2-methoxyphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174704
N-(2-bromo-4-methylphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104920682
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107181388
N-(2-amino-4-cyanophenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174932
2-[(2,2-dimethylcyclopentanecarbonyl)amino]-4-fluorobenzoic acid
CID 107175114
N-(5-fluoro-2-sulfamoylphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107182877
N-(4-amino-2-methylphenyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107174697
N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107002393
N-(4-amino-2-cyanophenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174818

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-2-fluorophenyl]-2,2-dimethylcyclopentane-1-carboxamide?
The IUPAC name of N-[4-(aminomethyl)-2-fluorophenyl]-2,2-dimethylcyclopentane-1-carboxamide (CID 107174661) is N-[4-(aminomethyl)-2-fluorophenyl]-2,2-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)-2-fluorophenyl]-2,2-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)-2-fluorophenyl]-2,2-dimethylcyclopentane-1-carboxamide is CC1(C)CCCC1C(=O)Nc1ccc(CN)cc1F.
What is the InChIKey of N-[4-(aminomethyl)-2-fluorophenyl]-2,2-dimethylcyclopentane-1-carboxamide?
The InChIKey is QLFWUZVCDONMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-15(2)7-3-4-11(15)14(19)18-13-6-5-10(9-17)8-12(13)16/h5-6,8,11H,3-4,7,9,17H2,1-2H3,(H,18,19).
What are the key properties of N-[4-(aminomethyl)-2-fluorophenyl]-2,2-dimethylcyclopentane-1-carboxamide?
N-[4-(aminomethyl)-2-fluorophenyl]-2,2-dimethylcyclopentane-1-carboxamide has a molecular weight of 264.34 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-2-fluorophenyl]-2,2-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 107174661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).