N-[[1-(cyclopropylamino)cyclopentyl]methyl]-4-[2-(3,4-difluorophenyl)ethynyl]benzamide

C24H24F2N2O — CID 162688806

IUPACN-[[1-(cyclopropylamino)cyclopentyl]methyl]-4-[2-(3,4-difluorophenyl)ethynyl]benzamide
SMILESO=C(NCC1(NC2CC2)CCCC1)c1ccc(C#Cc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C24H24F2N2O/c25-21-12-7-18(15-22(21)26)4-3-17-5-8-19(9-6-17)23(29)27-16-24(13-1-2-14-24)28-20-10-11-20/h5-9,12,15,20,28H,1-2,10-11,13-14,16H2,(H,27,29)
InChIKeyZATRHSWNRGUPSI-UHFFFAOYSA-N
MW394.47 g/mol
LogP4.16
Rot. Bonds5

About N-[[1-(cyclopropylamino)cyclopentyl]methyl]-4-[2-(3,4-difluorophenyl)ethynyl]benzamide

N-[[1-(cyclopropylamino)cyclopentyl]methyl]-4-[2-(3,4-difluorophenyl)ethynyl]benzamide (PubChem CID 162688806) has the molecular formula C24H24F2N2O and a molecular weight of 394.47 g/mol. Its IUPAC name is N-[[1-(cyclopropylamino)cyclopentyl]methyl]-4-[2-(3,4-difluorophenyl)ethynyl]benzamide.

Molecular Properties

Compound NameN-[[1-(cyclopropylamino)cyclopentyl]methyl]-4-[2-(3,4-difluorophenyl)ethynyl]benzamide
PubChem CID162688806
Molecular FormulaC24H24F2N2O
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC NameN-[[1-(cyclopropylamino)cyclopentyl]methyl]-4-[2-(3,4-difluorophenyl)ethynyl]benzamide
SMILESO=C(NCC1(NC2CC2)CCCC1)c1ccc(C#Cc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C24H24F2N2O/c25-21-12-7-18(15-22(21)26)4-3-17-5-8-19(9-6-17)23(29)27-16-24(13-1-2-14-24)28-20-10-11-20/h5-9,12,15,20,28H,1-2,10-11,13-14,16H2,(H,27,29)
InChIKeyZATRHSWNRGUPSI-UHFFFAOYSA-N
XLogP4.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[1-(cyclopropylamino)cyclopentyl]methyl]-4-[2-(3,4-difluorophenyl)ethynyl]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

4-[2-(2-fluorophenyl)ethynyl]-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 162688790
N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-difluorobenzamide
CID 115365383
3,4-difluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65119123
3,4-difluoro-N-[[1-(methylaminomethyl)cyclobutyl]methyl]benzamide
CID 115267549
[1-(cyclopropylmethyl)cycloheptyl]methanamine;N-[[1-(cyclopropylmethyl)cycloheptyl]methyl]-4-[2-(2-fluorophenyl)ethynyl]benzamide;4-[2-(2-fluorophenyl)ethynyl]benzoic acid
CID 167582354
N-[[1-[2-(dimethylamino)-2-oxoethyl]cyclohexyl]methyl]-4-[2-(2-fluorophenyl)ethynyl]benzamide
CID 162688678
4-[2-(2-fluorophenyl)ethynyl]-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 162688811
3,4-difluoro-N-[2-[(1-hydroxycycloheptyl)methylamino]-2-oxoethyl]benzamide
CID 111660763
N-[1-(aminomethyl)cyclopentyl]-3,4-difluorobenzamide;hydrochloride
CID 119567629
N-[[4-(2-amino-2-oxoethyl)oxan-4-yl]methyl]-4-[2-(2-fluorophenyl)ethynyl]benzamide
CID 162688729
4-[2-(2,4-difluorophenyl)ethynyl]benzoic acid;4-[2-(2,4-difluorophenyl)ethynyl]-N-[(1-methylcyclopentyl)methyl]benzamide;(1-methylcyclopentyl)methanamine;hydrochloride
CID 167656759
3,4-difluoro-N-[1-(hydroxymethyl)cyclobutyl]benzamide
CID 115878348

Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyclopropylamino)cyclopentyl]methyl]-4-[2-(3,4-difluorophenyl)ethynyl]benzamide?
The IUPAC name of N-[[1-(cyclopropylamino)cyclopentyl]methyl]-4-[2-(3,4-difluorophenyl)ethynyl]benzamide (CID 162688806) is N-[[1-(cyclopropylamino)cyclopentyl]methyl]-4-[2-(3,4-difluorophenyl)ethynyl]benzamide.
What is the SMILES notation for N-[[1-(cyclopropylamino)cyclopentyl]methyl]-4-[2-(3,4-difluorophenyl)ethynyl]benzamide?
The canonical SMILES for N-[[1-(cyclopropylamino)cyclopentyl]methyl]-4-[2-(3,4-difluorophenyl)ethynyl]benzamide is O=C(NCC1(NC2CC2)CCCC1)c1ccc(C#Cc2ccc(F)c(F)c2)cc1.
What is the InChIKey of N-[[1-(cyclopropylamino)cyclopentyl]methyl]-4-[2-(3,4-difluorophenyl)ethynyl]benzamide?
The InChIKey is ZATRHSWNRGUPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N2O/c25-21-12-7-18(15-22(21)26)4-3-17-5-8-19(9-6-17)23(29)27-16-24(13-1-2-14-24)28-20-10-11-20/h5-9,12,15,20,28H,1-2,10-11,13-14,16H2,(H,27,29).
What are the key properties of N-[[1-(cyclopropylamino)cyclopentyl]methyl]-4-[2-(3,4-difluorophenyl)ethynyl]benzamide?
N-[[1-(cyclopropylamino)cyclopentyl]methyl]-4-[2-(3,4-difluorophenyl)ethynyl]benzamide has a molecular weight of 394.47 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(cyclopropylamino)cyclopentyl]methyl]-4-[2-(3,4-difluorophenyl)ethynyl]benzamide is sourced from PubChem (CID 162688806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).