2-amino-N-ethyl-N-(3-fluorophenyl)-3-methylpentanamide

C14H21FN2O — CID 76924070

IUPAC2-amino-N-ethyl-N-(3-fluorophenyl)-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)N(CC)c1cccc(F)c1
InChIInChI=1S/C14H21FN2O/c1-4-10(3)13(16)14(18)17(5-2)12-8-6-7-11(15)9-12/h6-10,13H,4-5,16H2,1-3H3
InChIKeySJBBBSDIWYQXIL-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.55
Rot. Bonds5

About 2-amino-N-ethyl-N-(3-fluorophenyl)-3-methylpentanamide

2-amino-N-ethyl-N-(3-fluorophenyl)-3-methylpentanamide (PubChem CID 76924070) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-amino-N-ethyl-N-(3-fluorophenyl)-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-ethyl-N-(3-fluorophenyl)-3-methylpentanamide
PubChem CID76924070
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name2-amino-N-ethyl-N-(3-fluorophenyl)-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)N(CC)c1cccc(F)c1
InChIInChI=1S/C14H21FN2O/c1-4-10(3)13(16)14(18)17(5-2)12-8-6-7-11(15)9-12/h6-10,13H,4-5,16H2,1-3H3
InChIKeySJBBBSDIWYQXIL-UHFFFAOYSA-N
XLogP2.55
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]-3-methylpentanamide
CID 61173559
(2S)-2-amino-N-ethyl-3-methyl-N-(3-methylphenyl)butanamide
CID 22690792
N-ethyl-N-(3-fluorophenyl)-3-sulfanylpropanamide
CID 107027159
N-(3-aminopropyl)-N-(3-fluorophenyl)-2-methylpropanamide
CID 28767293
3-[[(2S,3S)-2-amino-3-methylpentanoyl]-methylamino]benzamide
CID 56628599
6-amino-N-ethyl-N-(3-fluorophenyl)pyridine-2-carboxamide
CID 62238970
N-ethyl-N-(3-fluorophenyl)-2,4-dihydroxy-5-propan-2-ylbenzamide
CID 146316508
2-amino-N-[2-(3-fluorophenyl)ethyl]-3-methylpentanamide
CID 43566279
(2S)-2-amino-N-[(2,4-difluorophenyl)methyl]-N,3-dimethylpentanamide
CID 61173739
(2S)-2-amino-N-ethyl-N-(4-fluorophenyl)propanamide;hydrochloride
CID 119271831
N-ethyl-N-(3-fluorophenyl)pyrrolidine-3-carboxamide
CID 55149318
3-bromo-5-chloro-N-ethyl-N-(3-fluorophenyl)benzamide
CID 107952279

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-N-(3-fluorophenyl)-3-methylpentanamide?
The IUPAC name of 2-amino-N-ethyl-N-(3-fluorophenyl)-3-methylpentanamide (CID 76924070) is 2-amino-N-ethyl-N-(3-fluorophenyl)-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-ethyl-N-(3-fluorophenyl)-3-methylpentanamide?
The canonical SMILES for 2-amino-N-ethyl-N-(3-fluorophenyl)-3-methylpentanamide is CCC(C)C(N)C(=O)N(CC)c1cccc(F)c1.
What is the InChIKey of 2-amino-N-ethyl-N-(3-fluorophenyl)-3-methylpentanamide?
The InChIKey is SJBBBSDIWYQXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-4-10(3)13(16)14(18)17(5-2)12-8-6-7-11(15)9-12/h6-10,13H,4-5,16H2,1-3H3.
What are the key properties of 2-amino-N-ethyl-N-(3-fluorophenyl)-3-methylpentanamide?
2-amino-N-ethyl-N-(3-fluorophenyl)-3-methylpentanamide has a molecular weight of 252.33 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-N-(3-fluorophenyl)-3-methylpentanamide is sourced from PubChem (CID 76924070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).