2-amino-N-(2,3-difluorophenyl)-3-methylbutanamide;hydrochloride

C11H15ClF2N2O — CID 119280847

IUPAC2-amino-N-(2,3-difluorophenyl)-3-methylbutanamide;hydrochloride
SMILESCC(C)C(N)C(=O)Nc1cccc(F)c1F.Cl
InChIInChI=1S/C11H14F2N2O.ClH/c1-6(2)10(14)11(16)15-8-5-3-4-7(12)9(8)13;/h3-6,10H,14H2,1-2H3,(H,15,16);1H
InChIKeyMBTOAEOGAJZACR-UHFFFAOYSA-N
MW264.70 g/mol
LogP2.31
Rot. Bonds3

About 2-amino-N-(2,3-difluorophenyl)-3-methylbutanamide;hydrochloride

2-amino-N-(2,3-difluorophenyl)-3-methylbutanamide;hydrochloride (PubChem CID 119280847) has the molecular formula C11H15ClF2N2O and a molecular weight of 264.70 g/mol. Its IUPAC name is 2-amino-N-(2,3-difluorophenyl)-3-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(2,3-difluorophenyl)-3-methylbutanamide;hydrochloride
PubChem CID119280847
Molecular FormulaC11H15ClF2N2O
Molecular Weight264.70 g/mol
Exact Mass264.08
IUPAC Name2-amino-N-(2,3-difluorophenyl)-3-methylbutanamide;hydrochloride
SMILESCC(C)C(N)C(=O)Nc1cccc(F)c1F.Cl
InChIInChI=1S/C11H14F2N2O.ClH/c1-6(2)10(14)11(16)15-8-5-3-4-7(12)9(8)13;/h3-6,10H,14H2,1-2H3,(H,15,16);1H
InChIKeyMBTOAEOGAJZACR-UHFFFAOYSA-N
XLogP2.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.70
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2-fluorophenyl)-3-methylbutanamide;hydrochloride
CID 119262319
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2-amino-N-(2-fluorophenyl)propanamide;hydrochloride
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(2S)-2-amino-N-(5-hydroxynaphthalen-1-yl)-3-methylbutanamide
CID 61180078
1-amino-3-(2,3-difluorophenyl)urea
CID 61075420
2-[(2,3-difluorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 61207863
2-amino-N-(2-fluorophenyl)propanamide
CID 24707617
3-amino-1-(2,3-difluorophenyl)-4-methylpentan-2-one
CID 116549114
2-amino-N-(2-fluorophenyl)-3-methylpentanamide
CID 24698442
(2R)-2-amino-N-(2-bromo-3-chlorophenyl)-3-methylbutanamide
CID 103479404
tert-butyl N-[1-(2,3-difluoroanilino)-1-oxopropan-2-yl]oxycarbamate
CID 166374387
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CID 130498725

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,3-difluorophenyl)-3-methylbutanamide;hydrochloride?
The IUPAC name of 2-amino-N-(2,3-difluorophenyl)-3-methylbutanamide;hydrochloride (CID 119280847) is 2-amino-N-(2,3-difluorophenyl)-3-methylbutanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(2,3-difluorophenyl)-3-methylbutanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(2,3-difluorophenyl)-3-methylbutanamide;hydrochloride is CC(C)C(N)C(=O)Nc1cccc(F)c1F.Cl.
What is the InChIKey of 2-amino-N-(2,3-difluorophenyl)-3-methylbutanamide;hydrochloride?
The InChIKey is MBTOAEOGAJZACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O.ClH/c1-6(2)10(14)11(16)15-8-5-3-4-7(12)9(8)13;/h3-6,10H,14H2,1-2H3,(H,15,16);1H.
What are the key properties of 2-amino-N-(2,3-difluorophenyl)-3-methylbutanamide;hydrochloride?
2-amino-N-(2,3-difluorophenyl)-3-methylbutanamide;hydrochloride has a molecular weight of 264.70 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,3-difluorophenyl)-3-methylbutanamide;hydrochloride is sourced from PubChem (CID 119280847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).