2-amino-N-[1-(2,4-difluorophenyl)ethyl]-3-methylbutanamide

C13H18F2N2O — CID 43702013

IUPAC2-amino-N-[1-(2,4-difluorophenyl)ethyl]-3-methylbutanamide
SMILESCC(NC(=O)C(N)C(C)C)c1ccc(F)cc1F
InChIInChI=1S/C13H18F2N2O/c1-7(2)12(16)13(18)17-8(3)10-5-4-9(14)6-11(10)15/h4-8,12H,16H2,1-3H3,(H,17,18)
InChIKeyYKVLMKCGJQVBDT-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.13
Rot. Bonds4

About 2-amino-N-[1-(2,4-difluorophenyl)ethyl]-3-methylbutanamide

2-amino-N-[1-(2,4-difluorophenyl)ethyl]-3-methylbutanamide (PubChem CID 43702013) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-amino-N-[1-(2,4-difluorophenyl)ethyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[1-(2,4-difluorophenyl)ethyl]-3-methylbutanamide
PubChem CID43702013
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-amino-N-[1-(2,4-difluorophenyl)ethyl]-3-methylbutanamide
SMILESCC(NC(=O)C(N)C(C)C)c1ccc(F)cc1F
InChIInChI=1S/C13H18F2N2O/c1-7(2)12(16)13(18)17-8(3)10-5-4-9(14)6-11(10)15/h4-8,12H,16H2,1-3H3,(H,17,18)
InChIKeyYKVLMKCGJQVBDT-UHFFFAOYSA-N
XLogP2.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[1-(2,4-difluorophenyl)ethyl]butanamide;hydrochloride
CID 119269517
4-[1-(2,4-difluorophenyl)ethylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496981
N-[1-(2,4-difluorophenyl)ethyl]-2-oxopropanamide
CID 70339940
N-[1-(2,4-difluorophenyl)ethyl]-2-hydroxy-2-phenylacetamide
CID 110879965
N-[1-(2,4-difluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51150419
ethyl N-[1-(2,4-difluorophenyl)ethyl]carbamate
CID 60638339
N-[1-[1-(2,4-difluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 51150373
2-amino-N-[1-(2,4-difluorophenyl)ethyl]-2-ethylbutanamide
CID 79810222
N-[1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 51150426
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 8782184
4-[1-(2,4-difluorophenyl)ethylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992980
2-(tert-butylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 31311994

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2,4-difluorophenyl)ethyl]-3-methylbutanamide?
The IUPAC name of 2-amino-N-[1-(2,4-difluorophenyl)ethyl]-3-methylbutanamide (CID 43702013) is 2-amino-N-[1-(2,4-difluorophenyl)ethyl]-3-methylbutanamide.
What is the SMILES notation for 2-amino-N-[1-(2,4-difluorophenyl)ethyl]-3-methylbutanamide?
The canonical SMILES for 2-amino-N-[1-(2,4-difluorophenyl)ethyl]-3-methylbutanamide is CC(NC(=O)C(N)C(C)C)c1ccc(F)cc1F.
What is the InChIKey of 2-amino-N-[1-(2,4-difluorophenyl)ethyl]-3-methylbutanamide?
The InChIKey is YKVLMKCGJQVBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-7(2)12(16)13(18)17-8(3)10-5-4-9(14)6-11(10)15/h4-8,12H,16H2,1-3H3,(H,17,18).
What are the key properties of 2-amino-N-[1-(2,4-difluorophenyl)ethyl]-3-methylbutanamide?
2-amino-N-[1-(2,4-difluorophenyl)ethyl]-3-methylbutanamide has a molecular weight of 256.30 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2,4-difluorophenyl)ethyl]-3-methylbutanamide is sourced from PubChem (CID 43702013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).