2-amino-N-(2-cyanoethyl)-3-fluoro-N-(2-methylpropyl)benzamide

C14H18FN3O — CID 62662075

IUPAC2-amino-N-(2-cyanoethyl)-3-fluoro-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(CCC#N)C(=O)c1cccc(F)c1N
InChIInChI=1S/C14H18FN3O/c1-10(2)9-18(8-4-7-16)14(19)11-5-3-6-12(15)13(11)17/h3,5-6,10H,4,8-9,17H2,1-2H3
InChIKeyUWESSDFLXRHQBJ-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.42
Rot. Bonds5

About 2-amino-N-(2-cyanoethyl)-3-fluoro-N-(2-methylpropyl)benzamide

2-amino-N-(2-cyanoethyl)-3-fluoro-N-(2-methylpropyl)benzamide (PubChem CID 62662075) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-amino-N-(2-cyanoethyl)-3-fluoro-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-amino-N-(2-cyanoethyl)-3-fluoro-N-(2-methylpropyl)benzamide
PubChem CID62662075
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name2-amino-N-(2-cyanoethyl)-3-fluoro-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(CCC#N)C(=O)c1cccc(F)c1N
InChIInChI=1S/C14H18FN3O/c1-10(2)9-18(8-4-7-16)14(19)11-5-3-6-12(15)13(11)17/h3,5-6,10H,4,8-9,17H2,1-2H3
InChIKeyUWESSDFLXRHQBJ-UHFFFAOYSA-N
XLogP2.42
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.42
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

5-amino-N-(2-cyanoethyl)-2,4-difluoro-N-(2-methylpropyl)benzamide
CID 61115858
2-bromo-N-(2-cyanoethyl)-N-(2-methylpropyl)benzamide
CID 60654639
4-bromo-N-(2-cyanoethyl)-2-fluoro-N-(2-methylpropyl)benzamide
CID 60699445
N-(2-cyanoethyl)-2-hydrazinyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 62236256
N-(2-cyanoethyl)-3-iodo-N-(2-methylpropyl)benzamide
CID 60654556
5-chloro-N-(2-cyanoethyl)-2-hydroxy-N-(2-methylpropyl)benzamide
CID 60654559
6-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 62160013
5-amino-N-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 61114721
N-(2-cyanoethyl)-5-fluoro-N-(2-methylpropyl)-2-nitrobenzamide
CID 61050993
4-amino-N-(2-cyanoethyl)-3-hydroxy-N-(2-methylpropyl)benzamide
CID 107074624
2-chloro-N-(2-cyanoethyl)-N-(2-methylpropyl)-5-sulfanylbenzamide
CID 107026865
2-amino-N-butan-2-yl-3-fluoro-N-methylbenzamide
CID 62650764

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-cyanoethyl)-3-fluoro-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-amino-N-(2-cyanoethyl)-3-fluoro-N-(2-methylpropyl)benzamide (CID 62662075) is 2-amino-N-(2-cyanoethyl)-3-fluoro-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-amino-N-(2-cyanoethyl)-3-fluoro-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-amino-N-(2-cyanoethyl)-3-fluoro-N-(2-methylpropyl)benzamide is CC(C)CN(CCC#N)C(=O)c1cccc(F)c1N.
What is the InChIKey of 2-amino-N-(2-cyanoethyl)-3-fluoro-N-(2-methylpropyl)benzamide?
The InChIKey is UWESSDFLXRHQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-10(2)9-18(8-4-7-16)14(19)11-5-3-6-12(15)13(11)17/h3,5-6,10H,4,8-9,17H2,1-2H3.
What are the key properties of 2-amino-N-(2-cyanoethyl)-3-fluoro-N-(2-methylpropyl)benzamide?
2-amino-N-(2-cyanoethyl)-3-fluoro-N-(2-methylpropyl)benzamide has a molecular weight of 263.32 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-cyanoethyl)-3-fluoro-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 62662075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).