2-amino-N-[3-(difluoromethyl)phenyl]propanamide;hydrochloride

C10H13ClF2N2O — CID 119314355

IUPAC2-amino-N-[3-(difluoromethyl)phenyl]propanamide;hydrochloride
SMILESCC(N)C(=O)Nc1cccc(C(F)F)c1.Cl
InChIInChI=1S/C10H12F2N2O.ClH/c1-6(13)10(15)14-8-4-2-3-7(5-8)9(11)12;/h2-6,9H,13H2,1H3,(H,14,15);1H
InChIKeyUXJCKXKMZHEOJV-UHFFFAOYSA-N
MW250.68 g/mol
LogP2.33
Rot. Bonds3

About 2-amino-N-[3-(difluoromethyl)phenyl]propanamide;hydrochloride

2-amino-N-[3-(difluoromethyl)phenyl]propanamide;hydrochloride (PubChem CID 119314355) has the molecular formula C10H13ClF2N2O and a molecular weight of 250.68 g/mol. Its IUPAC name is 2-amino-N-[3-(difluoromethyl)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-(difluoromethyl)phenyl]propanamide;hydrochloride
PubChem CID119314355
Molecular FormulaC10H13ClF2N2O
Molecular Weight250.68 g/mol
Exact Mass250.07
IUPAC Name2-amino-N-[3-(difluoromethyl)phenyl]propanamide;hydrochloride
SMILESCC(N)C(=O)Nc1cccc(C(F)F)c1.Cl
InChIInChI=1S/C10H12F2N2O.ClH/c1-6(13)10(15)14-8-4-2-3-7(5-8)9(11)12;/h2-6,9H,13H2,1H3,(H,14,15);1H
InChIKeyUXJCKXKMZHEOJV-UHFFFAOYSA-N
XLogP2.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.68
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(3-acetamidophenyl)-2-aminopropanamide
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(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]propanamide
CID 61146338
2-amino-N-(3-aminophenyl)propanamide
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(2S)-2-amino-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride
CID 119305153
3-(2-aminopropanoylamino)benzamide
CID 61258270
(2S)-2-amino-N-(3-iodophenyl)propanamide
CID 28882940
N-[1-(3-acetamidophenyl)ethyl]-2-aminopropanamide
CID 54880242
2-amino-N-(3-methylsulfinylphenyl)propanamide;hydrochloride
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(2R)-2-amino-N-phenylpropanamide
CID 10607114
(2S)-2-amino-N-[3-(2,2,2-trifluoroethyl)phenyl]propanamide;hydrochloride
CID 119333857

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(difluoromethyl)phenyl]propanamide;hydrochloride?
The IUPAC name of 2-amino-N-[3-(difluoromethyl)phenyl]propanamide;hydrochloride (CID 119314355) is 2-amino-N-[3-(difluoromethyl)phenyl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[3-(difluoromethyl)phenyl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[3-(difluoromethyl)phenyl]propanamide;hydrochloride is CC(N)C(=O)Nc1cccc(C(F)F)c1.Cl.
What is the InChIKey of 2-amino-N-[3-(difluoromethyl)phenyl]propanamide;hydrochloride?
The InChIKey is UXJCKXKMZHEOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O.ClH/c1-6(13)10(15)14-8-4-2-3-7(5-8)9(11)12;/h2-6,9H,13H2,1H3,(H,14,15);1H.
What are the key properties of 2-amino-N-[3-(difluoromethyl)phenyl]propanamide;hydrochloride?
2-amino-N-[3-(difluoromethyl)phenyl]propanamide;hydrochloride has a molecular weight of 250.68 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(difluoromethyl)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119314355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).