N-(2-cyanophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide

C19H19F2N3O2 — CID 51168369

IUPACN-(2-cyanophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide
SMILESCC(C(=O)Nc1ccccc1C#N)N(C)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C19H19F2N3O2/c1-13(18(25)23-17-6-4-3-5-15(17)11-22)24(2)12-14-7-9-16(10-8-14)26-19(20)21/h3-10,13,19H,12H2,1-2H3,(H,23,25)
InChIKeyJCNZIJPPYBEWTB-UHFFFAOYSA-N
MW359.38 g/mol
LogP3.62
Rot. Bonds7

About N-(2-cyanophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide

N-(2-cyanophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide (PubChem CID 51168369) has the molecular formula C19H19F2N3O2 and a molecular weight of 359.38 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide
PubChem CID51168369
Molecular FormulaC19H19F2N3O2
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC NameN-(2-cyanophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide
SMILESCC(C(=O)Nc1ccccc1C#N)N(C)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C19H19F2N3O2/c1-13(18(25)23-17-6-4-3-5-15(17)11-22)24(2)12-14-7-9-16(10-8-14)26-19(20)21/h3-10,13,19H,12H2,1-2H3,(H,23,25)
InChIKeyJCNZIJPPYBEWTB-UHFFFAOYSA-N
XLogP3.62
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(difluoromethoxy)phenyl]-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide
CID 18094148
N-(2-cyanophenyl)-2-[(4-ethylphenyl)methyl-methylamino]propanamide
CID 51168320
(2R)-N-(2-cyanophenyl)-2-[(4-ethylphenyl)methyl-methylamino]propanamide
CID 8515756
(2S)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-phenylpropanamide
CID 7995629
(2R)-N-(2-cyanophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517865
N-(2-cyanophenyl)-2-[furan-3-ylmethyl(methyl)amino]propanamide
CID 61422743
[(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 4-(difluoromethoxy)benzoate
CID 2612539
N-(2-cyanophenyl)-2-[methyl(propyl)amino]propanamide
CID 43271243
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-propan-2-ylpropanamide
CID 78701766
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2,4-dimethoxyphenyl)propanamide
CID 86918893
(2R)-N-(2-cyanophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide
CID 9102232
N-(2-cyanophenyl)-2-[2-cyanopropyl(methyl)amino]propanamide
CID 47395538

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide?
The IUPAC name of N-(2-cyanophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide (CID 51168369) is N-(2-cyanophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide?
The canonical SMILES for N-(2-cyanophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide is CC(C(=O)Nc1ccccc1C#N)N(C)Cc1ccc(OC(F)F)cc1.
What is the InChIKey of N-(2-cyanophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide?
The InChIKey is JCNZIJPPYBEWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O2/c1-13(18(25)23-17-6-4-3-5-15(17)11-22)24(2)12-14-7-9-16(10-8-14)26-19(20)21/h3-10,13,19H,12H2,1-2H3,(H,23,25).
What are the key properties of N-(2-cyanophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide?
N-(2-cyanophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide has a molecular weight of 359.38 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide is sourced from PubChem (CID 51168369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).