2-amino-N-(2,5-difluoro-4-methoxyphenyl)-3-methylpentanamide;hydrochloride

C13H19ClF2N2O2 — CID 119812881

IUPAC2-amino-N-(2,5-difluoro-4-methoxyphenyl)-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)Nc1cc(F)c(OC)cc1F.Cl
InChIInChI=1S/C13H18F2N2O2.ClH/c1-4-7(2)12(16)13(18)17-10-5-9(15)11(19-3)6-8(10)14;/h5-7,12H,4,16H2,1-3H3,(H,17,18);1H
InChIKeyDXLVGGOQPCUHGT-UHFFFAOYSA-N
MW308.76 g/mol
LogP2.71
Rot. Bonds5

About 2-amino-N-(2,5-difluoro-4-methoxyphenyl)-3-methylpentanamide;hydrochloride

2-amino-N-(2,5-difluoro-4-methoxyphenyl)-3-methylpentanamide;hydrochloride (PubChem CID 119812881) has the molecular formula C13H19ClF2N2O2 and a molecular weight of 308.76 g/mol. Its IUPAC name is 2-amino-N-(2,5-difluoro-4-methoxyphenyl)-3-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(2,5-difluoro-4-methoxyphenyl)-3-methylpentanamide;hydrochloride
PubChem CID119812881
Molecular FormulaC13H19ClF2N2O2
Molecular Weight308.76 g/mol
Exact Mass308.11
IUPAC Name2-amino-N-(2,5-difluoro-4-methoxyphenyl)-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)Nc1cc(F)c(OC)cc1F.Cl
InChIInChI=1S/C13H18F2N2O2.ClH/c1-4-7(2)12(16)13(18)17-10-5-9(15)11(19-3)6-8(10)14;/h5-7,12H,4,16H2,1-3H3,(H,17,18);1H
InChIKeyDXLVGGOQPCUHGT-UHFFFAOYSA-N
XLogP2.71
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.76
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(2,5-difluoro-4-methoxyphenyl)-3,3-dimethylbutanamide
CID 119812870
2-amino-N-(4-chloro-2-fluorophenyl)-3-methylpentanamide;hydrochloride
CID 119673993
(2S,3S)-2-amino-N-(4-chloro-2-fluorophenyl)-3-methylpentanamide
CID 61180794
methyl 3-[(2-amino-3-methylpentanoyl)amino]-4-fluorobenzoate
CID 43703145
(2S,3S)-2-amino-N-(5-chloro-2,4-dimethoxyphenyl)-3-methylpentanamide
CID 28515111
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3-methylpentanamide
CID 22690883
(2S)-2-amino-N-(4-bromo-2-fluorophenyl)-3-methylpentanamide
CID 61174208
(2S,3S)-2-amino-N-(5-bromo-2-methoxyphenyl)-3-methylpentanamide
CID 54967599
4-[[(2S)-2-amino-3-methylpentanoyl]amino]-3-fluorobenzoic acid
CID 63188226
2-amino-N-(2-fluorophenyl)-3-methylpentanamide
CID 24698442
3-amino-N-(2,5-difluoro-4-methoxyphenyl)propanamide;hydrochloride
CID 119340315
2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpentanamide;hydrochloride
CID 119730113

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,5-difluoro-4-methoxyphenyl)-3-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-(2,5-difluoro-4-methoxyphenyl)-3-methylpentanamide;hydrochloride (CID 119812881) is 2-amino-N-(2,5-difluoro-4-methoxyphenyl)-3-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(2,5-difluoro-4-methoxyphenyl)-3-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(2,5-difluoro-4-methoxyphenyl)-3-methylpentanamide;hydrochloride is CCC(C)C(N)C(=O)Nc1cc(F)c(OC)cc1F.Cl.
What is the InChIKey of 2-amino-N-(2,5-difluoro-4-methoxyphenyl)-3-methylpentanamide;hydrochloride?
The InChIKey is DXLVGGOQPCUHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2.ClH/c1-4-7(2)12(16)13(18)17-10-5-9(15)11(19-3)6-8(10)14;/h5-7,12H,4,16H2,1-3H3,(H,17,18);1H.
What are the key properties of 2-amino-N-(2,5-difluoro-4-methoxyphenyl)-3-methylpentanamide;hydrochloride?
2-amino-N-(2,5-difluoro-4-methoxyphenyl)-3-methylpentanamide;hydrochloride has a molecular weight of 308.76 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,5-difluoro-4-methoxyphenyl)-3-methylpentanamide;hydrochloride is sourced from PubChem (CID 119812881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).