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

C10H13Cl2FN2O — CID 119320659

IUPAC2-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-methylacetamide;hydrochloride
SMILESCN(Cc1ccc(F)cc1Cl)C(=O)CN.Cl
InChIInChI=1S/C10H12ClFN2O.ClH/c1-14(10(15)5-13)6-7-2-3-8(12)4-9(7)11;/h2-4H,5-6,13H2,1H3;1H
InChIKeyHSGDPQZUULZSJW-UHFFFAOYSA-N
MW267.13 g/mol
LogP1.82
Rot. Bonds3

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

2-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-methylacetamide;hydrochloride (PubChem CID 119320659) has the molecular formula C10H13Cl2FN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 2-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-methylacetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-methylacetamide;hydrochloride
PubChem CID119320659
Molecular FormulaC10H13Cl2FN2O
Molecular Weight267.13 g/mol
Exact Mass266.04
IUPAC Name2-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-methylacetamide;hydrochloride
SMILESCN(Cc1ccc(F)cc1Cl)C(=O)CN.Cl
InChIInChI=1S/C10H12ClFN2O.ClH/c1-14(10(15)5-13)6-7-2-3-8(12)4-9(7)11;/h2-4H,5-6,13H2,1H3;1H
InChIKeyHSGDPQZUULZSJW-UHFFFAOYSA-N
XLogP1.82
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-bis[(2-chloro-4-fluorophenyl)methyl]-N,N'-dimethyloxamide
CID 166179956
1-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 86779775
2-(2-chloro-4-fluorophenyl)-N,N-dimethylacetamide
CID 126789693
trans-(1S,3S)-3-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 124685000
3-amino-N-[(2,4-difluorophenyl)methyl]-N-methylbutanamide;hydrochloride
CID 119703011
1-(2-chloro-4-fluorophenyl)-3-(dimethylamino)-3-methylbutan-2-one
CID 79047987
4-[(2-chloro-4-fluorophenyl)methyl-methylamino]butan-2-ol
CID 115665893
2-[(2-chloro-4-fluorophenyl)methylsulfinyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 86923071
3-amino-4-[(2-chloro-4-fluorophenyl)methyl-methylamino]benzoic acid
CID 63117529
3-[(2,4-difluorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 55049729
3-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpropanamide
CID 94687738
2-[(2-chloro-4-fluorophenyl)methyl-methylamino]-N'-hydroxyethanimidamide
CID 76928893

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-methylacetamide;hydrochloride?
The IUPAC name of 2-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-methylacetamide;hydrochloride (CID 119320659) is 2-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-methylacetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-methylacetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-methylacetamide;hydrochloride is CN(Cc1ccc(F)cc1Cl)C(=O)CN.Cl.
What is the InChIKey of 2-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-methylacetamide;hydrochloride?
The InChIKey is HSGDPQZUULZSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O.ClH/c1-14(10(15)5-13)6-7-2-3-8(12)4-9(7)11;/h2-4H,5-6,13H2,1H3;1H.
What are the key properties of 2-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-methylacetamide;hydrochloride?
2-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-methylacetamide;hydrochloride has a molecular weight of 267.13 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-methylacetamide;hydrochloride is sourced from PubChem (CID 119320659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).