N-(2-cyanoethyl)-3,4-difluoro-N-phenylbenzamide

C16H12F2N2O — CID 24702771

IUPACN-(2-cyanoethyl)-3,4-difluoro-N-phenylbenzamide
SMILESN#CCCN(C(=O)c1ccc(F)c(F)c1)c1ccccc1
InChIInChI=1S/C16H12F2N2O/c17-14-8-7-12(11-15(14)18)16(21)20(10-4-9-19)13-5-2-1-3-6-13/h1-3,5-8,11H,4,10H2
InChIKeyDVIVOFISPRUXOA-UHFFFAOYSA-N
MW286.28 g/mol
LogP3.53
Rot. Bonds4

About N-(2-cyanoethyl)-3,4-difluoro-N-phenylbenzamide

N-(2-cyanoethyl)-3,4-difluoro-N-phenylbenzamide (PubChem CID 24702771) has the molecular formula C16H12F2N2O and a molecular weight of 286.28 g/mol. Its IUPAC name is N-(2-cyanoethyl)-3,4-difluoro-N-phenylbenzamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-3,4-difluoro-N-phenylbenzamide
PubChem CID24702771
Molecular FormulaC16H12F2N2O
Molecular Weight286.28 g/mol
Exact Mass286.09
IUPAC NameN-(2-cyanoethyl)-3,4-difluoro-N-phenylbenzamide
SMILESN#CCCN(C(=O)c1ccc(F)c(F)c1)c1ccccc1
InChIInChI=1S/C16H12F2N2O/c17-14-8-7-12(11-15(14)18)16(21)20(10-4-9-19)13-5-2-1-3-6-13/h1-3,5-8,11H,4,10H2
InChIKeyDVIVOFISPRUXOA-UHFFFAOYSA-N
XLogP3.53
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(2-cyanoethyl)-3-fluoro-N-phenylbenzamide
CID 62679271
N-(2-cyanoethyl)-N-(4-methylphenyl)benzamide
CID 2429232
N-(2-cyanoethyl)-2-(4-fluorophenyl)-N-phenylacetamide
CID 24710774
2-chloro-N-(2-cyanoethyl)-N-phenylacetamide
CID 2404872
N-(2-cyanoethyl)-2,5-dihydroxy-N-phenylbenzamide
CID 107721972
2-(3-chlorophenyl)-N-(2-cyanoethyl)-N-phenylacetamide
CID 62504093
N-(2-cyanoethyl)-N-phenylnaphthalene-1-carboxamide
CID 43823022
N-(2-aminoethyl)-3-fluoro-N-phenylbenzamide
CID 28768548
N-(2-cyanoethyl)-2-[4-(4-fluorobenzoyl)phenoxy]-N-phenylacetamide
CID 46805536
N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-fluorobenzamide
CID 86979034
N-(cyanomethyl)-3,4-dimethyl-N-phenylbenzamide
CID 82133612
2-(N-(3-bromo-4-fluorobenzoyl)anilino)acetic acid
CID 103841255

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-3,4-difluoro-N-phenylbenzamide?
The IUPAC name of N-(2-cyanoethyl)-3,4-difluoro-N-phenylbenzamide (CID 24702771) is N-(2-cyanoethyl)-3,4-difluoro-N-phenylbenzamide.
What is the SMILES notation for N-(2-cyanoethyl)-3,4-difluoro-N-phenylbenzamide?
The canonical SMILES for N-(2-cyanoethyl)-3,4-difluoro-N-phenylbenzamide is N#CCCN(C(=O)c1ccc(F)c(F)c1)c1ccccc1.
What is the InChIKey of N-(2-cyanoethyl)-3,4-difluoro-N-phenylbenzamide?
The InChIKey is DVIVOFISPRUXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O/c17-14-8-7-12(11-15(14)18)16(21)20(10-4-9-19)13-5-2-1-3-6-13/h1-3,5-8,11H,4,10H2.
What are the key properties of N-(2-cyanoethyl)-3,4-difluoro-N-phenylbenzamide?
N-(2-cyanoethyl)-3,4-difluoro-N-phenylbenzamide has a molecular weight of 286.28 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-3,4-difluoro-N-phenylbenzamide is sourced from PubChem (CID 24702771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).