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

C10H13ClF2N2O2 — CID 119340315

IUPAC3-amino-N-(2,5-difluoro-4-methoxyphenyl)propanamide;hydrochloride
SMILESCOc1cc(F)c(NC(=O)CCN)cc1F.Cl
InChIInChI=1S/C10H12F2N2O2.ClH/c1-16-9-5-6(11)8(4-7(9)12)14-10(15)2-3-13;/h4-5H,2-3,13H2,1H3,(H,14,15);1H
InChIKeyFUUSTHGQKVWOTH-UHFFFAOYSA-N
MW266.67 g/mol
LogP1.68
Rot. Bonds4

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

3-amino-N-(2,5-difluoro-4-methoxyphenyl)propanamide;hydrochloride (PubChem CID 119340315) has the molecular formula C10H13ClF2N2O2 and a molecular weight of 266.67 g/mol. Its IUPAC name is 3-amino-N-(2,5-difluoro-4-methoxyphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2,5-difluoro-4-methoxyphenyl)propanamide;hydrochloride
PubChem CID119340315
Molecular FormulaC10H13ClF2N2O2
Molecular Weight266.67 g/mol
Exact Mass266.06
IUPAC Name3-amino-N-(2,5-difluoro-4-methoxyphenyl)propanamide;hydrochloride
SMILESCOc1cc(F)c(NC(=O)CCN)cc1F.Cl
InChIInChI=1S/C10H12F2N2O2.ClH/c1-16-9-5-6(11)8(4-7(9)12)14-10(15)2-3-13;/h4-5H,2-3,13H2,1H3,(H,14,15);1H
InChIKeyFUUSTHGQKVWOTH-UHFFFAOYSA-N
XLogP1.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.67
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-amino-N-(2,5-difluoro-4-methoxyphenyl)heptanamide
CID 119812850
N-(2,5-difluoro-4-methoxyphenyl)-4-hydroxybutanamide
CID 115162824
2-amino-N-(2-fluoro-4,5-dimethoxyphenyl)acetamide
CID 119320405
2-amino-N-(2,5-difluoro-4-methoxyphenyl)-3-methylpentanamide;hydrochloride
CID 119812881
4-(aminomethyl)-N-(2,5-difluoro-4-methoxyphenyl)oxane-4-carboxamide;hydrochloride
CID 120936327
(2S)-2-amino-N-(2,5-difluoro-4-methoxyphenyl)-3,3-dimethylbutanamide
CID 119812870
3-amino-N-(5-chloro-4-methoxy-2-methylphenyl)propanamide
CID 82497353
3-(2,5-difluorophenyl)-N-(2-fluoro-4,5-dimethoxyphenyl)propanamide
CID 56782937
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-difluoro-4-methoxyphenyl)acetamide
CID 119812874
N-(5-acetamido-2-fluorophenyl)-3-aminopropanamide;hydrochloride
CID 119279495
3-amino-1-(5-fluoro-2,4-dimethoxyphenyl)propan-1-one
CID 117326578
4-[(2,5-difluoro-4-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 122086650

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,5-difluoro-4-methoxyphenyl)propanamide;hydrochloride?
The IUPAC name of 3-amino-N-(2,5-difluoro-4-methoxyphenyl)propanamide;hydrochloride (CID 119340315) is 3-amino-N-(2,5-difluoro-4-methoxyphenyl)propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2,5-difluoro-4-methoxyphenyl)propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2,5-difluoro-4-methoxyphenyl)propanamide;hydrochloride is COc1cc(F)c(NC(=O)CCN)cc1F.Cl.
What is the InChIKey of 3-amino-N-(2,5-difluoro-4-methoxyphenyl)propanamide;hydrochloride?
The InChIKey is FUUSTHGQKVWOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O2.ClH/c1-16-9-5-6(11)8(4-7(9)12)14-10(15)2-3-13;/h4-5H,2-3,13H2,1H3,(H,14,15);1H.
What are the key properties of 3-amino-N-(2,5-difluoro-4-methoxyphenyl)propanamide;hydrochloride?
3-amino-N-(2,5-difluoro-4-methoxyphenyl)propanamide;hydrochloride has a molecular weight of 266.67 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,5-difluoro-4-methoxyphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119340315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).