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

C12H17ClF2N2O2 — CID 119290625

IUPAC2-amino-N-(3,5-difluoro-4-methoxyphenyl)pentanamide;hydrochloride
SMILESCCCC(N)C(=O)Nc1cc(F)c(OC)c(F)c1.Cl
InChIInChI=1S/C12H16F2N2O2.ClH/c1-3-4-10(15)12(17)16-7-5-8(13)11(18-2)9(14)6-7;/h5-6,10H,3-4,15H2,1-2H3,(H,16,17);1H
InChIKeyKMPBMIOGLKBUOG-UHFFFAOYSA-N
MW294.73 g/mol
LogP2.46
Rot. Bonds5

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

2-amino-N-(3,5-difluoro-4-methoxyphenyl)pentanamide;hydrochloride (PubChem CID 119290625) has the molecular formula C12H17ClF2N2O2 and a molecular weight of 294.73 g/mol. Its IUPAC name is 2-amino-N-(3,5-difluoro-4-methoxyphenyl)pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(3,5-difluoro-4-methoxyphenyl)pentanamide;hydrochloride
PubChem CID119290625
Molecular FormulaC12H17ClF2N2O2
Molecular Weight294.73 g/mol
Exact Mass294.09
IUPAC Name2-amino-N-(3,5-difluoro-4-methoxyphenyl)pentanamide;hydrochloride
SMILESCCCC(N)C(=O)Nc1cc(F)c(OC)c(F)c1.Cl
InChIInChI=1S/C12H16F2N2O2.ClH/c1-3-4-10(15)12(17)16-7-5-8(13)11(18-2)9(14)6-7;/h5-6,10H,3-4,15H2,1-2H3,(H,16,17);1H
InChIKeyKMPBMIOGLKBUOG-UHFFFAOYSA-N
XLogP2.46
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.73
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(3,5-difluoro-4-methoxyphenyl)pentanamide
CID 119290626
2-amino-N-(3,5-difluoro-4-methoxyphenyl)-3-methoxypropanamide;hydrochloride
CID 120986908
2-amino-N-(3,4,5-trifluorophenyl)pentanamide
CID 62814039
(2R)-2-amino-N-(3,5-difluoro-4-methoxyphenyl)propanamide;hydrochloride
CID 119290623
(2R)-2-amino-N-(3-fluoro-5-methoxyphenyl)pentanamide
CID 113264156
2-amino-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]pentanamide
CID 119302610
2-amino-N-(3-chloro-4-fluorophenyl)pentanamide
CID 43650208
5-[[(2S)-2-aminopentanoyl]amino]-2-fluorobenzamide
CID 107568539
(2S)-2-amino-N-(3,5-dichloro-4-hydroxyphenyl)pentanamide
CID 107680682
2-amino-N-(3,5-dichloro-4-hydroxyphenyl)pentanamide
CID 107680705
methyl 5-[[(2S)-2-aminopentanoyl]amino]-2,4-difluorobenzoate
CID 107568719
2-amino-N-[3-[(4-fluorophenyl)methoxy]phenyl]pentanamide;hydrochloride
CID 119284258

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,5-difluoro-4-methoxyphenyl)pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-(3,5-difluoro-4-methoxyphenyl)pentanamide;hydrochloride (CID 119290625) is 2-amino-N-(3,5-difluoro-4-methoxyphenyl)pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(3,5-difluoro-4-methoxyphenyl)pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(3,5-difluoro-4-methoxyphenyl)pentanamide;hydrochloride is CCCC(N)C(=O)Nc1cc(F)c(OC)c(F)c1.Cl.
What is the InChIKey of 2-amino-N-(3,5-difluoro-4-methoxyphenyl)pentanamide;hydrochloride?
The InChIKey is KMPBMIOGLKBUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2.ClH/c1-3-4-10(15)12(17)16-7-5-8(13)11(18-2)9(14)6-7;/h5-6,10H,3-4,15H2,1-2H3,(H,16,17);1H.
What are the key properties of 2-amino-N-(3,5-difluoro-4-methoxyphenyl)pentanamide;hydrochloride?
2-amino-N-(3,5-difluoro-4-methoxyphenyl)pentanamide;hydrochloride has a molecular weight of 294.73 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,5-difluoro-4-methoxyphenyl)pentanamide;hydrochloride is sourced from PubChem (CID 119290625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).