2-amino-N-[(3-chloro-4-fluorophenyl)methyl]propanamide;hydrochloride

C10H13Cl2FN2O — CID 119280875

IUPAC2-amino-N-[(3-chloro-4-fluorophenyl)methyl]propanamide;hydrochloride
SMILESCC(N)C(=O)NCc1ccc(F)c(Cl)c1.Cl
InChIInChI=1S/C10H12ClFN2O.ClH/c1-6(13)10(15)14-5-7-2-3-9(12)8(11)4-7;/h2-4,6H,5,13H2,1H3,(H,14,15);1H
InChIKeyMXAIFCWEFMCKHT-UHFFFAOYSA-N
MW267.13 g/mol
LogP1.86
Rot. Bonds3

About 2-amino-N-[(3-chloro-4-fluorophenyl)methyl]propanamide;hydrochloride

2-amino-N-[(3-chloro-4-fluorophenyl)methyl]propanamide;hydrochloride (PubChem CID 119280875) has the molecular formula C10H13Cl2FN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 2-amino-N-[(3-chloro-4-fluorophenyl)methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(3-chloro-4-fluorophenyl)methyl]propanamide;hydrochloride
PubChem CID119280875
Molecular FormulaC10H13Cl2FN2O
Molecular Weight267.13 g/mol
Exact Mass266.04
IUPAC Name2-amino-N-[(3-chloro-4-fluorophenyl)methyl]propanamide;hydrochloride
SMILESCC(N)C(=O)NCc1ccc(F)c(Cl)c1.Cl
InChIInChI=1S/C10H12ClFN2O.ClH/c1-6(13)10(15)14-5-7-2-3-9(12)8(11)4-7;/h2-4,6H,5,13H2,1H3,(H,14,15);1H
InChIKeyMXAIFCWEFMCKHT-UHFFFAOYSA-N
XLogP1.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(3-chloro-4-fluorophenyl)methyl]-3-methylbutanamide
CID 62538439
(2R)-2-amino-N-[(3,4-difluorophenyl)methyl]propanamide
CID 78973210
(2S)-2-amino-N-[(3-chloro-4-fluorophenyl)methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119707921
4-amino-N-[(3-chloro-4-fluorophenyl)methyl]-2-methylbutanamide
CID 80545171
N'-[(3-chloro-4-fluorophenyl)methyl]oxamide
CID 115191859
1-[(3-chloro-4-fluorophenyl)methyl]-3-methylurea
CID 115603858
3-amino-1-(3-chloro-4-fluorophenyl)butan-2-one
CID 103042495
(2S)-2-[(3-chloro-4-fluorophenyl)methylcarbamoylamino]-3-methylbutanoic acid
CID 62533440
N-[1-[(3-chloro-4-fluorophenyl)methylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110014441
2-amino-N-[(3-fluorophenyl)methyl]propanamide
CID 43123316
2-[(3-chloro-4-fluorophenyl)methylamino]-3-methylbutanoic acid
CID 81145005
2-amino-N-[(4-ethoxy-3-fluorophenyl)methyl]propanamide
CID 115152372

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-chloro-4-fluorophenyl)methyl]propanamide;hydrochloride?
The IUPAC name of 2-amino-N-[(3-chloro-4-fluorophenyl)methyl]propanamide;hydrochloride (CID 119280875) is 2-amino-N-[(3-chloro-4-fluorophenyl)methyl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(3-chloro-4-fluorophenyl)methyl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(3-chloro-4-fluorophenyl)methyl]propanamide;hydrochloride is CC(N)C(=O)NCc1ccc(F)c(Cl)c1.Cl.
What is the InChIKey of 2-amino-N-[(3-chloro-4-fluorophenyl)methyl]propanamide;hydrochloride?
The InChIKey is MXAIFCWEFMCKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O.ClH/c1-6(13)10(15)14-5-7-2-3-9(12)8(11)4-7;/h2-4,6H,5,13H2,1H3,(H,14,15);1H.
What are the key properties of 2-amino-N-[(3-chloro-4-fluorophenyl)methyl]propanamide;hydrochloride?
2-amino-N-[(3-chloro-4-fluorophenyl)methyl]propanamide;hydrochloride has a molecular weight of 267.13 g/mol, XLogP of 1.86, 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-chloro-4-fluorophenyl)methyl]propanamide;hydrochloride is sourced from PubChem (CID 119280875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).