2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpentanamide;hydrochloride

C14H22ClFN2O2 — CID 119730113

IUPAC2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NCc1ccc(OC)c(F)c1.Cl
InChIInChI=1S/C14H21FN2O2.ClH/c1-4-9(2)13(16)14(18)17-8-10-5-6-12(19-3)11(15)7-10;/h5-7,9,13H,4,8,16H2,1-3H3,(H,17,18);1H
InChIKeyYAIPCJCEARFLJC-UHFFFAOYSA-N
MW304.79 g/mol
LogP2.25
Rot. Bonds6

About 2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpentanamide;hydrochloride

2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpentanamide;hydrochloride (PubChem CID 119730113) has the molecular formula C14H22ClFN2O2 and a molecular weight of 304.79 g/mol. Its IUPAC name is 2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpentanamide;hydrochloride
PubChem CID119730113
Molecular FormulaC14H22ClFN2O2
Molecular Weight304.79 g/mol
Exact Mass304.14
IUPAC Name2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NCc1ccc(OC)c(F)c1.Cl
InChIInChI=1S/C14H21FN2O2.ClH/c1-4-9(2)13(16)14(18)17-8-10-5-6-12(19-3)11(15)7-10;/h5-7,9,13H,4,8,16H2,1-3H3,(H,17,18);1H
InChIKeyYAIPCJCEARFLJC-UHFFFAOYSA-N
XLogP2.25
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.79
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpentanamide
CID 119730114
(2S,3S)-2-amino-N-[(3-fluoro-4-methylphenyl)methyl]-3-methylpentanamide
CID 61155382
2-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]butanamide
CID 110779959
2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methylpentanamide;hydrochloride
CID 119690822
2-amino-N-[(6-methoxynaphthalen-2-yl)methyl]-3-methylpentanamide;hydrochloride
CID 119699304
2-amino-N-[(4-chlorophenyl)methyl]-3-methylpentanamide;hydrochloride
CID 119669753
2-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methylpentanamide;hydrochloride
CID 119716020
2-amino-N-[(4-ethoxy-3-fluorophenyl)methyl]propanamide
CID 115152372
(2R)-2-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119318455
2-amino-3-methyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide;hydrochloride
CID 119747912
2-amino-N-[(3,4-dichlorophenyl)methyl]-3-methylpentanamide
CID 69170793
2-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]pentanamide
CID 119690656

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpentanamide;hydrochloride (CID 119730113) is 2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpentanamide;hydrochloride is CCC(C)C(N)C(=O)NCc1ccc(OC)c(F)c1.Cl.
What is the InChIKey of 2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpentanamide;hydrochloride?
The InChIKey is YAIPCJCEARFLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2.ClH/c1-4-9(2)13(16)14(18)17-8-10-5-6-12(19-3)11(15)7-10;/h5-7,9,13H,4,8,16H2,1-3H3,(H,17,18);1H.
What are the key properties of 2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpentanamide;hydrochloride?
2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpentanamide;hydrochloride has a molecular weight of 304.79 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpentanamide;hydrochloride is sourced from PubChem (CID 119730113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).