2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-methylpropanamide

C14H18FN3O — CID 61265040

IUPAC2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-methylpropanamide
SMILESCCN(Cc1ccc(C#N)cc1F)C(=O)C(C)(C)N
InChIInChI=1S/C14H18FN3O/c1-4-18(13(19)14(2,3)17)9-11-6-5-10(8-16)7-12(11)15/h5-7H,4,9,17H2,1-3H3
InChIKeyLMVQPBRPEHNJST-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.78
Rot. Bonds4

About 2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-methylpropanamide

2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-methylpropanamide (PubChem CID 61265040) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-methylpropanamide
PubChem CID61265040
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-methylpropanamide
SMILESCCN(Cc1ccc(C#N)cc1F)C(=O)C(C)(C)N
InChIInChI=1S/C14H18FN3O/c1-4-18(13(19)14(2,3)17)9-11-6-5-10(8-16)7-12(11)15/h5-7H,4,9,17H2,1-3H3
InChIKeyLMVQPBRPEHNJST-UHFFFAOYSA-N
XLogP1.78
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-3-methylbutanamide
CID 79012793
(2R)-2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethylpentanamide
CID 107568965
(2S)-2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-3-methylpentanamide
CID 61174450
N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-methoxypropanamide
CID 112685872
2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-3-methoxypropanamide
CID 81083579
5-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethylhexanamide
CID 82850013
3-(aminomethyl)-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethylpentanamide
CID 81083740
4-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]-3-fluorobenzonitrile
CID 78927351
3-fluoro-4-[[methyl(propyl)amino]methyl]benzonitrile
CID 43271253
N-tert-butyl-2-[(4-cyano-2-fluorophenyl)methyl-ethylamino]acetamide
CID 36797986
N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-(2-methoxyethylamino)acetamide
CID 79272052
4-[[2-aminoethyl(methyl)amino]methyl]-3-fluorobenzonitrile
CID 62685924

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-methylpropanamide?
The IUPAC name of 2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-methylpropanamide (CID 61265040) is 2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-methylpropanamide is CCN(Cc1ccc(C#N)cc1F)C(=O)C(C)(C)N.
What is the InChIKey of 2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-methylpropanamide?
The InChIKey is LMVQPBRPEHNJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-4-18(13(19)14(2,3)17)9-11-6-5-10(8-16)7-12(11)15/h5-7H,4,9,17H2,1-3H3.
What are the key properties of 2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-methylpropanamide?
2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-methylpropanamide has a molecular weight of 263.32 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-methylpropanamide is sourced from PubChem (CID 61265040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).