N-(3,4-difluorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide

C17H18F2N2O — CID 8964034

IUPACN-(3,4-difluorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
SMILESCc1ccccc1CN(C)CC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C17H18F2N2O/c1-12-5-3-4-6-13(12)10-21(2)11-17(22)20-14-7-8-15(18)16(19)9-14/h3-9H,10-11H2,1-2H3,(H,20,22)
InChIKeyLKMFIBPOCSZYFK-UHFFFAOYSA-N
MW304.34 g/mol
LogP3.34
Rot. Bonds5

About N-(3,4-difluorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide

N-(3,4-difluorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide (PubChem CID 8964034) has the molecular formula C17H18F2N2O and a molecular weight of 304.34 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
PubChem CID8964034
Molecular FormulaC17H18F2N2O
Molecular Weight304.34 g/mol
Exact Mass304.14
IUPAC NameN-(3,4-difluorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
SMILESCc1ccccc1CN(C)CC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C17H18F2N2O/c1-12-5-3-4-6-13(12)10-21(2)11-17(22)20-14-7-8-15(18)16(19)9-14/h3-9H,10-11H2,1-2H3,(H,20,22)
InChIKeyLKMFIBPOCSZYFK-UHFFFAOYSA-N
XLogP3.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-difluorophenyl)-2-[[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]amino]acetamide
CID 8695732
N-(3,4-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2658802
N-(3-chloro-4-fluorophenyl)-2-[(2-chlorophenyl)methyl-methylamino]acetamide
CID 9057792
2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9045618
2-[[2-(3,4-difluoroanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8729092
2-(N-acetyl-2-ethylanilino)-N-(3,4-difluorophenyl)acetamide
CID 113169203
N-(3,4-difluorophenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019409
N-(2,6-diethylphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 8964124
N-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 4818793
N-(3-acetylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 9034829
2-[(2-fluorophenyl)methyl-methylamino]-N-(3-methylsulfanylphenyl)acetamide
CID 18078744
2-[methyl-[(2-methylphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592084

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide (CID 8964034) is N-(3,4-difluorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide is Cc1ccccc1CN(C)CC(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide?
The InChIKey is LKMFIBPOCSZYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O/c1-12-5-3-4-6-13(12)10-21(2)11-17(22)20-14-7-8-15(18)16(19)9-14/h3-9H,10-11H2,1-2H3,(H,20,22).
What are the key properties of N-(3,4-difluorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide?
N-(3,4-difluorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide has a molecular weight of 304.34 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide is sourced from PubChem (CID 8964034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).