N-[(2-chloro-6-fluorophenyl)methyl]-2-(3-fluoro-4-methylanilino)-N-methylpropanamide

C18H19ClF2N2O — CID 112811066

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-2-(3-fluoro-4-methylanilino)-N-methylpropanamide
SMILESCc1ccc(NC(C)C(=O)N(C)Cc2c(F)cccc2Cl)cc1F
InChIInChI=1S/C18H19ClF2N2O/c1-11-7-8-13(9-17(11)21)22-12(2)18(24)23(3)10-14-15(19)5-4-6-16(14)20/h4-9,12,22H,10H2,1-3H3
InChIKeyPRBIZRIGHOUJGV-UHFFFAOYSA-N
MW352.81 g/mol
LogP4.39
Rot. Bonds5

About N-[(2-chloro-6-fluorophenyl)methyl]-2-(3-fluoro-4-methylanilino)-N-methylpropanamide

N-[(2-chloro-6-fluorophenyl)methyl]-2-(3-fluoro-4-methylanilino)-N-methylpropanamide (PubChem CID 112811066) has the molecular formula C18H19ClF2N2O and a molecular weight of 352.81 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-2-(3-fluoro-4-methylanilino)-N-methylpropanamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-2-(3-fluoro-4-methylanilino)-N-methylpropanamide
PubChem CID112811066
Molecular FormulaC18H19ClF2N2O
Molecular Weight352.81 g/mol
Exact Mass352.12
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-2-(3-fluoro-4-methylanilino)-N-methylpropanamide
SMILESCc1ccc(NC(C)C(=O)N(C)Cc2c(F)cccc2Cl)cc1F
InChIInChI=1S/C18H19ClF2N2O/c1-11-7-8-13(9-17(11)21)22-12(2)18(24)23(3)10-14-15(19)5-4-6-16(14)20/h4-9,12,22H,10H2,1-3H3
InChIKeyPRBIZRIGHOUJGV-UHFFFAOYSA-N
XLogP4.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.81
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119267721
(2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 61165388
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
N-[1-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 55330671
(2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpentanamide
CID 93367493
5-[[(2S)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]amino]-2-methylbenzamide
CID 95255161
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[1-(2-methylphenyl)ethylamino]acetamide
CID 112769477
2-(aminomethyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpentanamide
CID 65229679
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(5-fluoro-2-methylphenyl)propanamide
CID 55524827
3-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide
CID 43470580
2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 107982395
3-(tert-butylamino)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide
CID 60936879

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-2-(3-fluoro-4-methylanilino)-N-methylpropanamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-2-(3-fluoro-4-methylanilino)-N-methylpropanamide (CID 112811066) is N-[(2-chloro-6-fluorophenyl)methyl]-2-(3-fluoro-4-methylanilino)-N-methylpropanamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-2-(3-fluoro-4-methylanilino)-N-methylpropanamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-2-(3-fluoro-4-methylanilino)-N-methylpropanamide is Cc1ccc(NC(C)C(=O)N(C)Cc2c(F)cccc2Cl)cc1F.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-2-(3-fluoro-4-methylanilino)-N-methylpropanamide?
The InChIKey is PRBIZRIGHOUJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClF2N2O/c1-11-7-8-13(9-17(11)21)22-12(2)18(24)23(3)10-14-15(19)5-4-6-16(14)20/h4-9,12,22H,10H2,1-3H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-2-(3-fluoro-4-methylanilino)-N-methylpropanamide?
N-[(2-chloro-6-fluorophenyl)methyl]-2-(3-fluoro-4-methylanilino)-N-methylpropanamide has a molecular weight of 352.81 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-2-(3-fluoro-4-methylanilino)-N-methylpropanamide is sourced from PubChem (CID 112811066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).