N-[4-(cyanomethyl)phenyl]-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide

C19H19F2N3O2 — CID 9042633

IUPACN-[4-(cyanomethyl)phenyl]-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(CC#N)cc1)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C19H19F2N3O2/c1-24(12-15-4-8-17(9-5-15)26-19(20)21)13-18(25)23-16-6-2-14(3-7-16)10-11-22/h2-9,19H,10,12-13H2,1H3,(H,23,25)
InChIKeyCVCDRRBYAVEJNY-UHFFFAOYSA-N
MW359.38 g/mol
LogP3.42
Rot. Bonds8

About N-[4-(cyanomethyl)phenyl]-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide

N-[4-(cyanomethyl)phenyl]-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide (PubChem CID 9042633) has the molecular formula C19H19F2N3O2 and a molecular weight of 359.38 g/mol. Its IUPAC name is N-[4-(cyanomethyl)phenyl]-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)phenyl]-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide
PubChem CID9042633
Molecular FormulaC19H19F2N3O2
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC NameN-[4-(cyanomethyl)phenyl]-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(CC#N)cc1)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C19H19F2N3O2/c1-24(12-15-4-8-17(9-5-15)26-19(20)21)13-18(25)23-16-6-2-14(3-7-16)10-11-22/h2-9,19H,10,12-13H2,1H3,(H,23,25)
InChIKeyCVCDRRBYAVEJNY-UHFFFAOYSA-N
XLogP3.42
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(4-iodophenyl)acetamide
CID 27218169
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(3,5-dimethylphenyl)acetamide
CID 9023931
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-naphthalen-2-ylacetamide
CID 9023955
N-[4-(cyanomethyl)phenyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 9054311
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 2516111
N-[4-(cyanomethyl)phenyl]-2-[(3,4-dichlorophenyl)methyl-methylamino]acetamide
CID 9041893
N-[4-(difluoromethoxy)phenyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 9035433
2-[2-(4-bromophenoxy)ethyl-methylamino]-N-[4-(cyanomethyl)phenyl]acetamide
CID 9041183
N-(4-cyanophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761634
2-[[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetyl]amino]-N-phenylbenzamide
CID 27218006
N-(2-bromophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide
CID 9024086
N-[4-(cyanomethyl)phenyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9041614

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)phenyl]-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide?
The IUPAC name of N-[4-(cyanomethyl)phenyl]-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide (CID 9042633) is N-[4-(cyanomethyl)phenyl]-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide.
What is the SMILES notation for N-[4-(cyanomethyl)phenyl]-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide?
The canonical SMILES for N-[4-(cyanomethyl)phenyl]-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide is CN(CC(=O)Nc1ccc(CC#N)cc1)Cc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[4-(cyanomethyl)phenyl]-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide?
The InChIKey is CVCDRRBYAVEJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O2/c1-24(12-15-4-8-17(9-5-15)26-19(20)21)13-18(25)23-16-6-2-14(3-7-16)10-11-22/h2-9,19H,10,12-13H2,1H3,(H,23,25).
What are the key properties of N-[4-(cyanomethyl)phenyl]-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide?
N-[4-(cyanomethyl)phenyl]-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide has a molecular weight of 359.38 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethyl)phenyl]-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide is sourced from PubChem (CID 9042633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).