N-[(2,3-difluoro-4-methoxyphenyl)methyl]-2-(dimethylamino)-2-(3-methylphenyl)acetamide

C19H22F2N2O2 — CID 50967911

IUPACN-[(2,3-difluoro-4-methoxyphenyl)methyl]-2-(dimethylamino)-2-(3-methylphenyl)acetamide
SMILESCOc1ccc(CNC(=O)C(c2cccc(C)c2)N(C)C)c(F)c1F
InChIInChI=1S/C19H22F2N2O2/c1-12-6-5-7-13(10-12)18(23(2)3)19(24)22-11-14-8-9-15(25-4)17(21)16(14)20/h5-10,18H,11H2,1-4H3,(H,22,24)
InChIKeyPZNQPQZZIPQYAH-UHFFFAOYSA-N
MW348.39 g/mol
LogP3.20
Rot. Bonds6

About N-[(2,3-difluoro-4-methoxyphenyl)methyl]-2-(dimethylamino)-2-(3-methylphenyl)acetamide

N-[(2,3-difluoro-4-methoxyphenyl)methyl]-2-(dimethylamino)-2-(3-methylphenyl)acetamide (PubChem CID 50967911) has the molecular formula C19H22F2N2O2 and a molecular weight of 348.39 g/mol. Its IUPAC name is N-[(2,3-difluoro-4-methoxyphenyl)methyl]-2-(dimethylamino)-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[(2,3-difluoro-4-methoxyphenyl)methyl]-2-(dimethylamino)-2-(3-methylphenyl)acetamide
PubChem CID50967911
Molecular FormulaC19H22F2N2O2
Molecular Weight348.39 g/mol
Exact Mass348.16
IUPAC NameN-[(2,3-difluoro-4-methoxyphenyl)methyl]-2-(dimethylamino)-2-(3-methylphenyl)acetamide
SMILESCOc1ccc(CNC(=O)C(c2cccc(C)c2)N(C)C)c(F)c1F
InChIInChI=1S/C19H22F2N2O2/c1-12-6-5-7-13(10-12)18(23(2)3)19(24)22-11-14-8-9-15(25-4)17(21)16(14)20/h5-10,18H,11H2,1-4H3,(H,22,24)
InChIKeyPZNQPQZZIPQYAH-UHFFFAOYSA-N
XLogP3.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]ethyl]-2-methylpropanamide
CID 72849089
(2S)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(2,3,4,5-tetrafluorophenyl)methyl]acetamide
CID 97187528
N-[2-[[(2S)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]ethyl]-4-fluorobenzamide
CID 97150151
(2R)-2-(dimethylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(3-methylphenyl)acetamide
CID 97206308
(2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 97197462
(2S)-2-(dimethylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-methylphenyl)acetamide
CID 97200777
N-ethyl-2-[(2-fluoro-3-methoxyphenyl)methylamino]-N-methylacetamide
CID 114132777
(2S)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]acetamide
CID 97196249
(2S)-2-(dimethylamino)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-(3-methylphenyl)acetamide
CID 95148293
4-[[2-(dimethylamino)-2-(3-fluorophenyl)acetyl]amino]-N,N-dimethylbutanamide
CID 72849600
(2S)-2-(dimethylamino)-N-[(1-hydroxycyclohexyl)methyl]-2-(3-methylphenyl)acetamide
CID 97203958
(2R)-2-(dimethylamino)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-(3-methylphenyl)acetamide
CID 97117026

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluoro-4-methoxyphenyl)methyl]-2-(dimethylamino)-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[(2,3-difluoro-4-methoxyphenyl)methyl]-2-(dimethylamino)-2-(3-methylphenyl)acetamide (CID 50967911) is N-[(2,3-difluoro-4-methoxyphenyl)methyl]-2-(dimethylamino)-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[(2,3-difluoro-4-methoxyphenyl)methyl]-2-(dimethylamino)-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[(2,3-difluoro-4-methoxyphenyl)methyl]-2-(dimethylamino)-2-(3-methylphenyl)acetamide is COc1ccc(CNC(=O)C(c2cccc(C)c2)N(C)C)c(F)c1F.
What is the InChIKey of N-[(2,3-difluoro-4-methoxyphenyl)methyl]-2-(dimethylamino)-2-(3-methylphenyl)acetamide?
The InChIKey is PZNQPQZZIPQYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O2/c1-12-6-5-7-13(10-12)18(23(2)3)19(24)22-11-14-8-9-15(25-4)17(21)16(14)20/h5-10,18H,11H2,1-4H3,(H,22,24).
What are the key properties of N-[(2,3-difluoro-4-methoxyphenyl)methyl]-2-(dimethylamino)-2-(3-methylphenyl)acetamide?
N-[(2,3-difluoro-4-methoxyphenyl)methyl]-2-(dimethylamino)-2-(3-methylphenyl)acetamide has a molecular weight of 348.39 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluoro-4-methoxyphenyl)methyl]-2-(dimethylamino)-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 50967911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).