2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(5-fluoro-2-methylphenyl)propanamide

C18H19ClF2N2O — CID 55524827

IUPAC2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(5-fluoro-2-methylphenyl)propanamide
SMILESCc1ccc(F)cc1NC(=O)C(C)N(C)Cc1c(F)cccc1Cl
InChIInChI=1S/C18H19ClF2N2O/c1-11-7-8-13(20)9-17(11)22-18(24)12(2)23(3)10-14-15(19)5-4-6-16(14)21/h4-9,12H,10H2,1-3H3,(H,22,24)
InChIKeyRVNZPXQYUKHDNC-UHFFFAOYSA-N
MW352.81 g/mol
LogP4.39
Rot. Bonds5

About 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(5-fluoro-2-methylphenyl)propanamide

2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(5-fluoro-2-methylphenyl)propanamide (PubChem CID 55524827) has the molecular formula C18H19ClF2N2O and a molecular weight of 352.81 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(5-fluoro-2-methylphenyl)propanamide.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(5-fluoro-2-methylphenyl)propanamide
PubChem CID55524827
Molecular FormulaC18H19ClF2N2O
Molecular Weight352.81 g/mol
Exact Mass352.12
IUPAC Name2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(5-fluoro-2-methylphenyl)propanamide
SMILESCc1ccc(F)cc1NC(=O)C(C)N(C)Cc1c(F)cccc1Cl
InChIInChI=1S/C18H19ClF2N2O/c1-11-7-8-13(20)9-17(11)22-18(24)12(2)23(3)10-14-15(19)5-4-6-16(14)21/h4-9,12H,10H2,1-3H3,(H,22,24)
InChIKeyRVNZPXQYUKHDNC-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

N-(5-chloro-2-methylphenyl)-2-[(2,4-difluorophenyl)methyl-methylamino]propanamide
CID 24664454
(2S)-2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 2443670
(2S)-2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 31374774
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[(4-chlorophenyl)methyl]propanamide
CID 17475859
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 24506938
(2S)-2-[(2-fluorophenyl)methyl-methylamino]-N-(2,4,5-trichlorophenyl)propanamide
CID 2498448
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-methylphenyl)propanamide
CID 46561720
2-[(2,4-difluorophenyl)methyl-methylamino]-N-(3-fluoro-4-methylphenyl)propanamide
CID 24664447
3-chloro-N-(5-fluoro-2-methylphenyl)-2-methylpropanamide
CID 62729006
2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-(2,4-difluorophenyl)propanamide
CID 46631679
N-(5-chloro-2-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide
CID 111750320
N-[(2-chloro-6-fluorophenyl)methyl]-2-(3-fluoro-4-methylanilino)-N-methylpropanamide
CID 112811066

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(5-fluoro-2-methylphenyl)propanamide?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(5-fluoro-2-methylphenyl)propanamide (CID 55524827) is 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(5-fluoro-2-methylphenyl)propanamide.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(5-fluoro-2-methylphenyl)propanamide?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(5-fluoro-2-methylphenyl)propanamide is Cc1ccc(F)cc1NC(=O)C(C)N(C)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(5-fluoro-2-methylphenyl)propanamide?
The InChIKey is RVNZPXQYUKHDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClF2N2O/c1-11-7-8-13(20)9-17(11)22-18(24)12(2)23(3)10-14-15(19)5-4-6-16(14)21/h4-9,12H,10H2,1-3H3,(H,22,24).
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(5-fluoro-2-methylphenyl)propanamide?
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(5-fluoro-2-methylphenyl)propanamide 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 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(5-fluoro-2-methylphenyl)propanamide is sourced from PubChem (CID 55524827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).