N-(3-cyanopropyl)-2,4-difluorobenzamide

C11H10F2N2O — CID 62667575

IUPACN-(3-cyanopropyl)-2,4-difluorobenzamide
SMILESN#CCCCNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C11H10F2N2O/c12-8-3-4-9(10(13)7-8)11(16)15-6-2-1-5-14/h3-4,7H,1-2,6H2,(H,15,16)
InChIKeyDMGLWDGKRSDVGA-UHFFFAOYSA-N
MW224.21 g/mol
LogP2.00
Rot. Bonds4

About N-(3-cyanopropyl)-2,4-difluorobenzamide

N-(3-cyanopropyl)-2,4-difluorobenzamide (PubChem CID 62667575) has the molecular formula C11H10F2N2O and a molecular weight of 224.21 g/mol. Its IUPAC name is N-(3-cyanopropyl)-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-(3-cyanopropyl)-2,4-difluorobenzamide
PubChem CID62667575
Molecular FormulaC11H10F2N2O
Molecular Weight224.21 g/mol
Exact Mass224.08
IUPAC NameN-(3-cyanopropyl)-2,4-difluorobenzamide
SMILESN#CCCCNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C11H10F2N2O/c12-8-3-4-9(10(13)7-8)11(16)15-6-2-1-5-14/h3-4,7H,1-2,6H2,(H,15,16)
InChIKeyDMGLWDGKRSDVGA-UHFFFAOYSA-N
XLogP2.00
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-cyanopropyl)-2,4-difluorobenzamide 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-(3-cyanopropyl)-5-fluoro-2-nitrobenzamide
CID 62667750
N-(4-cyanobutyl)-2,3,4-trifluorobenzamide
CID 79749440
1-(3-cyanopropyl)-3-(2,4-difluorophenyl)urea
CID 62667576
N-(5-amino-4-methylpentyl)-2,4-difluorobenzamide
CID 106152842
N-(3-bromobutyl)-2,4-difluorobenzamide
CID 114312638
5-bromo-N-(4-cyanobutyl)-2-fluorobenzamide
CID 63284457
3-[4-[(2,4-difluorobenzoyl)amino]butanoylamino]propanoic acid
CID 119176967
2,4-difluoro-N-[4-(3-methylbutylamino)-4-oxobutyl]benzamide
CID 78803699
N-(5-amino-5-hydroxyiminopentyl)-2,4-difluorobenzamide
CID 77036797
2,4-difluoro-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]benzamide
CID 43039090
N-(3-cyanopropyl)-4,5-difluoro-2-nitrobenzamide
CID 62668298
N-[4-[3-(cyanomethoxy)anilino]-4-oxobutyl]-2,4-difluorobenzamide
CID 55752228

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanopropyl)-2,4-difluorobenzamide?
The IUPAC name of N-(3-cyanopropyl)-2,4-difluorobenzamide (CID 62667575) is N-(3-cyanopropyl)-2,4-difluorobenzamide.
What is the SMILES notation for N-(3-cyanopropyl)-2,4-difluorobenzamide?
The canonical SMILES for N-(3-cyanopropyl)-2,4-difluorobenzamide is N#CCCCNC(=O)c1ccc(F)cc1F.
What is the InChIKey of N-(3-cyanopropyl)-2,4-difluorobenzamide?
The InChIKey is DMGLWDGKRSDVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O/c12-8-3-4-9(10(13)7-8)11(16)15-6-2-1-5-14/h3-4,7H,1-2,6H2,(H,15,16).
What are the key properties of N-(3-cyanopropyl)-2,4-difluorobenzamide?
N-(3-cyanopropyl)-2,4-difluorobenzamide has a molecular weight of 224.21 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanopropyl)-2,4-difluorobenzamide is sourced from PubChem (CID 62667575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).