2-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]hexanamide

C16H23FN2O — CID 60939195

IUPAC2-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]hexanamide
SMILESCCCCC(N)C(=O)N(Cc1cccc(F)c1)C1CC1
InChIInChI=1S/C16H23FN2O/c1-2-3-7-15(18)16(20)19(14-8-9-14)11-12-5-4-6-13(17)10-12/h4-6,10,14-15H,2-3,7-9,11,18H2,1H3
InChIKeyYLTSVZJPFQCXPS-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.83
Rot. Bonds7

About 2-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]hexanamide

2-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]hexanamide (PubChem CID 60939195) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 2-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]hexanamide.

Molecular Properties

Compound Name2-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]hexanamide
PubChem CID60939195
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name2-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]hexanamide
SMILESCCCCC(N)C(=O)N(Cc1cccc(F)c1)C1CC1
InChIInChI=1S/C16H23FN2O/c1-2-3-7-15(18)16(20)19(14-8-9-14)11-12-5-4-6-13(17)10-12/h4-6,10,14-15H,2-3,7-9,11,18H2,1H3
InChIKeyYLTSVZJPFQCXPS-UHFFFAOYSA-N
XLogP2.83
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-methylhexanamide
CID 103830963
(2S)-2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]pentanamide
CID 93375654
3-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methyl-3-phenylpropanamide
CID 119715345
2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]pentanamide
CID 60938574
(2S)-2-amino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]butanamide
CID 79024748
2-amino-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]pentanamide;hydrochloride
CID 119298871
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-oxobutanamide
CID 54876800
(2S)-2-amino-N-cyclopropyl-N-propylhexanamide
CID 103950188
N-cyclopropyl-3-(ethylamino)-N-[(3-fluorophenyl)methyl]butanamide
CID 62838324
[3-[[cyclopropyl(2-ethylhexanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate
CID 46110892
3-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-oxopropanoic acid
CID 55049064
1-N-[(3-fluorophenyl)methyl]-1-N-methylhexane-1,2-diamine
CID 60852438

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]hexanamide?
The IUPAC name of 2-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]hexanamide (CID 60939195) is 2-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]hexanamide.
What is the SMILES notation for 2-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]hexanamide?
The canonical SMILES for 2-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]hexanamide is CCCCC(N)C(=O)N(Cc1cccc(F)c1)C1CC1.
What is the InChIKey of 2-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]hexanamide?
The InChIKey is YLTSVZJPFQCXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-2-3-7-15(18)16(20)19(14-8-9-14)11-12-5-4-6-13(17)10-12/h4-6,10,14-15H,2-3,7-9,11,18H2,1H3.
What are the key properties of 2-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]hexanamide?
2-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]hexanamide has a molecular weight of 278.37 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]hexanamide is sourced from PubChem (CID 60939195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).