5-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethylhexanamide

C16H22FN3O — CID 82850013

IUPAC5-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethylhexanamide
SMILESCCN(Cc1ccc(C#N)cc1F)C(=O)CCCC(C)N
InChIInChI=1S/C16H22FN3O/c1-3-20(16(21)6-4-5-12(2)19)11-14-8-7-13(10-18)9-15(14)17/h7-9,12H,3-6,11,19H2,1-2H3
InChIKeyPCHSIKVSZBYIOE-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.56
Rot. Bonds7

About 5-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethylhexanamide

5-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethylhexanamide (PubChem CID 82850013) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is 5-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethylhexanamide.

Molecular Properties

Compound Name5-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethylhexanamide
PubChem CID82850013
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC Name5-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethylhexanamide
SMILESCCN(Cc1ccc(C#N)cc1F)C(=O)CCCC(C)N
InChIInChI=1S/C16H22FN3O/c1-3-20(16(21)6-4-5-12(2)19)11-14-8-7-13(10-18)9-15(14)17/h7-9,12H,3-6,11,19H2,1-2H3
InChIKeyPCHSIKVSZBYIOE-UHFFFAOYSA-N
XLogP2.56
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.56
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
3-(aminomethyl)-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethylpentanamide
CID 81083740
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
2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-methylpropanamide
CID 61265040
N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-(2-methoxyethylamino)acetamide
CID 79272052
ethyl 6-[(2,4-difluorophenyl)methyl-ethylamino]-6-oxohexanoate
CID 19986498
4-[(4-cyano-2-fluorophenyl)methyl-methylamino]butanoic acid
CID 55006024
1-[(4-cyano-2-fluorophenyl)methyl]-1-ethyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 53498144
N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 47047399

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethylhexanamide?
The IUPAC name of 5-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethylhexanamide (CID 82850013) is 5-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethylhexanamide.
What is the SMILES notation for 5-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethylhexanamide?
The canonical SMILES for 5-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethylhexanamide is CCN(Cc1ccc(C#N)cc1F)C(=O)CCCC(C)N.
What is the InChIKey of 5-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethylhexanamide?
The InChIKey is PCHSIKVSZBYIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c1-3-20(16(21)6-4-5-12(2)19)11-14-8-7-13(10-18)9-15(14)17/h7-9,12H,3-6,11,19H2,1-2H3.
What are the key properties of 5-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethylhexanamide?
5-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethylhexanamide has a molecular weight of 291.37 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethylhexanamide is sourced from PubChem (CID 82850013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).