4-amino-N-(2-cyanoethyl)-3-fluoro-N-phenylbenzamide

C16H14FN3O — CID 62679271

IUPAC4-amino-N-(2-cyanoethyl)-3-fluoro-N-phenylbenzamide
SMILESN#CCCN(C(=O)c1ccc(N)c(F)c1)c1ccccc1
InChIInChI=1S/C16H14FN3O/c17-14-11-12(7-8-15(14)19)16(21)20(10-4-9-18)13-5-2-1-3-6-13/h1-3,5-8,11H,4,10,19H2
InChIKeyCJSFVCIATAXIFY-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.97
Rot. Bonds4

About 4-amino-N-(2-cyanoethyl)-3-fluoro-N-phenylbenzamide

4-amino-N-(2-cyanoethyl)-3-fluoro-N-phenylbenzamide (PubChem CID 62679271) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 4-amino-N-(2-cyanoethyl)-3-fluoro-N-phenylbenzamide.

Molecular Properties

Compound Name4-amino-N-(2-cyanoethyl)-3-fluoro-N-phenylbenzamide
PubChem CID62679271
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name4-amino-N-(2-cyanoethyl)-3-fluoro-N-phenylbenzamide
SMILESN#CCCN(C(=O)c1ccc(N)c(F)c1)c1ccccc1
InChIInChI=1S/C16H14FN3O/c17-14-11-12(7-8-15(14)19)16(21)20(10-4-9-18)13-5-2-1-3-6-13/h1-3,5-8,11H,4,10,19H2
InChIKeyCJSFVCIATAXIFY-UHFFFAOYSA-N
XLogP2.97
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyanoethyl)-3,4-difluoro-N-phenylbenzamide
CID 24702771
N-(2-cyanoethyl)-N-(4-methylphenyl)benzamide
CID 2429232
3-amino-N-(2-cyanoethyl)-N-phenylthiophene-2-carboxamide
CID 61093926
3-amino-2-chloro-N-(2-cyanoethyl)-N-phenylbenzamide
CID 115930125
4-amino-3-fluoro-N-methyl-N-(2-phenylethyl)benzamide
CID 62680430
N-(2-cyanoethyl)-2-(4-fluorophenyl)-N-phenylacetamide
CID 24710774
N-(2-cyanoethyl)-N-phenylnaphthalene-1-carboxamide
CID 43823022
N-(2-aminoethyl)-3-fluoro-N-phenylbenzamide
CID 28768548
2-chloro-N-(2-cyanoethyl)-N-phenylacetamide
CID 2404872
N-(2-cyanoethyl)-2,5-dihydroxy-N-phenylbenzamide
CID 107721972
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 2433393
N-(2-cyanoethyl)-2-[4-(4-fluorobenzoyl)phenoxy]-N-phenylacetamide
CID 46805536

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-cyanoethyl)-3-fluoro-N-phenylbenzamide?
The IUPAC name of 4-amino-N-(2-cyanoethyl)-3-fluoro-N-phenylbenzamide (CID 62679271) is 4-amino-N-(2-cyanoethyl)-3-fluoro-N-phenylbenzamide.
What is the SMILES notation for 4-amino-N-(2-cyanoethyl)-3-fluoro-N-phenylbenzamide?
The canonical SMILES for 4-amino-N-(2-cyanoethyl)-3-fluoro-N-phenylbenzamide is N#CCCN(C(=O)c1ccc(N)c(F)c1)c1ccccc1.
What is the InChIKey of 4-amino-N-(2-cyanoethyl)-3-fluoro-N-phenylbenzamide?
The InChIKey is CJSFVCIATAXIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c17-14-11-12(7-8-15(14)19)16(21)20(10-4-9-18)13-5-2-1-3-6-13/h1-3,5-8,11H,4,10,19H2.
What are the key properties of 4-amino-N-(2-cyanoethyl)-3-fluoro-N-phenylbenzamide?
4-amino-N-(2-cyanoethyl)-3-fluoro-N-phenylbenzamide has a molecular weight of 283.31 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-cyanoethyl)-3-fluoro-N-phenylbenzamide is sourced from PubChem (CID 62679271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).