3-amino-N-[(3-chloro-4-fluorophenyl)methyl]-N-methylpropanamide

C11H14ClFN2O — CID 115152939

IUPAC3-amino-N-[(3-chloro-4-fluorophenyl)methyl]-N-methylpropanamide
SMILESCN(Cc1ccc(F)c(Cl)c1)C(=O)CCN
InChIInChI=1S/C11H14ClFN2O/c1-15(11(16)4-5-14)7-8-2-3-10(13)9(12)6-8/h2-3,6H,4-5,7,14H2,1H3
InChIKeyLSJIOMSJASAYGF-UHFFFAOYSA-N
MW244.70 g/mol
LogP1.79
Rot. Bonds4

About 3-amino-N-[(3-chloro-4-fluorophenyl)methyl]-N-methylpropanamide

3-amino-N-[(3-chloro-4-fluorophenyl)methyl]-N-methylpropanamide (PubChem CID 115152939) has the molecular formula C11H14ClFN2O and a molecular weight of 244.70 g/mol. Its IUPAC name is 3-amino-N-[(3-chloro-4-fluorophenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-[(3-chloro-4-fluorophenyl)methyl]-N-methylpropanamide
PubChem CID115152939
Molecular FormulaC11H14ClFN2O
Molecular Weight244.70 g/mol
Exact Mass244.08
IUPAC Name3-amino-N-[(3-chloro-4-fluorophenyl)methyl]-N-methylpropanamide
SMILESCN(Cc1ccc(F)c(Cl)c1)C(=O)CCN
InChIInChI=1S/C11H14ClFN2O/c1-15(11(16)4-5-14)7-8-2-3-10(13)9(12)6-8/h2-3,6H,4-5,7,14H2,1H3
InChIKeyLSJIOMSJASAYGF-UHFFFAOYSA-N
XLogP1.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.70
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chloro-4-fluorophenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139194
3-amino-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 39246978
3-amino-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
CID 39242618
N-[(3-chloro-4-fluorophenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 115157979
N-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-2-oxoacetamide
CID 115166420
3-amino-N-methyl-N-(naphthalen-2-ylmethyl)propanamide;hydrochloride
CID 119270375
N-[(3,4-difluorophenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139161
2-chloro-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide
CID 60948624
4-amino-N-[(3-fluorophenyl)methyl]-N-methylbutanamide;hydrochloride
CID 119267070
3-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 100590851
2-chloro-N-[2-(3-chloro-4-fluorophenyl)ethyl]-N-methylacetamide
CID 115162206
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119312630

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-chloro-4-fluorophenyl)methyl]-N-methylpropanamide?
The IUPAC name of 3-amino-N-[(3-chloro-4-fluorophenyl)methyl]-N-methylpropanamide (CID 115152939) is 3-amino-N-[(3-chloro-4-fluorophenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 3-amino-N-[(3-chloro-4-fluorophenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 3-amino-N-[(3-chloro-4-fluorophenyl)methyl]-N-methylpropanamide is CN(Cc1ccc(F)c(Cl)c1)C(=O)CCN.
What is the InChIKey of 3-amino-N-[(3-chloro-4-fluorophenyl)methyl]-N-methylpropanamide?
The InChIKey is LSJIOMSJASAYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O/c1-15(11(16)4-5-14)7-8-2-3-10(13)9(12)6-8/h2-3,6H,4-5,7,14H2,1H3.
What are the key properties of 3-amino-N-[(3-chloro-4-fluorophenyl)methyl]-N-methylpropanamide?
3-amino-N-[(3-chloro-4-fluorophenyl)methyl]-N-methylpropanamide has a molecular weight of 244.70 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-chloro-4-fluorophenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 115152939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).