N-(5-chloro-2-methylphenyl)-2-[(2,4-difluorophenyl)methyl-methylamino]propanamide

C18H19ClF2N2O — CID 24664454

IUPACN-(5-chloro-2-methylphenyl)-2-[(2,4-difluorophenyl)methyl-methylamino]propanamide
SMILESCc1ccc(Cl)cc1NC(=O)C(C)N(C)Cc1ccc(F)cc1F
InChIInChI=1S/C18H19ClF2N2O/c1-11-4-6-14(19)8-17(11)22-18(24)12(2)23(3)10-13-5-7-15(20)9-16(13)21/h4-9,12H,10H2,1-3H3,(H,22,24)
InChIKeyXVEXMRQVRXWIRI-UHFFFAOYSA-N
MW352.81 g/mol
LogP4.39
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-2-[(2,4-difluorophenyl)methyl-methylamino]propanamide

N-(5-chloro-2-methylphenyl)-2-[(2,4-difluorophenyl)methyl-methylamino]propanamide (PubChem CID 24664454) has the molecular formula C18H19ClF2N2O and a molecular weight of 352.81 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[(2,4-difluorophenyl)methyl-methylamino]propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[(2,4-difluorophenyl)methyl-methylamino]propanamide
PubChem CID24664454
Molecular FormulaC18H19ClF2N2O
Molecular Weight352.81 g/mol
Exact Mass352.12
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[(2,4-difluorophenyl)methyl-methylamino]propanamide
SMILESCc1ccc(Cl)cc1NC(=O)C(C)N(C)Cc1ccc(F)cc1F
InChIInChI=1S/C18H19ClF2N2O/c1-11-4-6-14(19)8-17(11)22-18(24)12(2)23(3)10-13-5-7-15(20)9-16(13)21/h4-9,12H,10H2,1-3H3,(H,22,24)
InChIKeyXVEXMRQVRXWIRI-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

2-[(2,4-difluorophenyl)methyl-methylamino]-N-(3-fluoro-4-methylphenyl)propanamide
CID 24664447
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(5-fluoro-2-methylphenyl)propanamide
CID 55524827
N-(5-chloro-2-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide
CID 111750320
(2S)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(5-chloro-2-methylphenyl)propanamide
CID 26374871
(2R)-N-(5-chloro-2-methylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 9494910
(2S)-2-[(2-fluorophenyl)methyl-methylamino]-N-(2,4,5-trichlorophenyl)propanamide
CID 2498448
N-benzhydryl-2-[(2,4-difluorophenyl)methyl-methylamino]propanamide
CID 55542481
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-methylphenyl)propanamide
CID 46561720
(2S)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517815
(2R)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517819
N-(4-chloro-2-fluorophenyl)-2-[(3,4-difluorophenyl)methyl-methylamino]propanamide
CID 55557683
(2S)-2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-methylphenyl)propanamide
CID 25490882

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[(2,4-difluorophenyl)methyl-methylamino]propanamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[(2,4-difluorophenyl)methyl-methylamino]propanamide (CID 24664454) is N-(5-chloro-2-methylphenyl)-2-[(2,4-difluorophenyl)methyl-methylamino]propanamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[(2,4-difluorophenyl)methyl-methylamino]propanamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[(2,4-difluorophenyl)methyl-methylamino]propanamide is Cc1ccc(Cl)cc1NC(=O)C(C)N(C)Cc1ccc(F)cc1F.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[(2,4-difluorophenyl)methyl-methylamino]propanamide?
The InChIKey is XVEXMRQVRXWIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClF2N2O/c1-11-4-6-14(19)8-17(11)22-18(24)12(2)23(3)10-13-5-7-15(20)9-16(13)21/h4-9,12H,10H2,1-3H3,(H,22,24).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[(2,4-difluorophenyl)methyl-methylamino]propanamide?
N-(5-chloro-2-methylphenyl)-2-[(2,4-difluorophenyl)methyl-methylamino]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 N-(5-chloro-2-methylphenyl)-2-[(2,4-difluorophenyl)methyl-methylamino]propanamide is sourced from PubChem (CID 24664454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).