(2R)-2-[acetyl(methyl)amino]-2-(2-chloro-6-fluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide

C20H22ClFN2O3 — CID 99783779

IUPAC(2R)-2-[acetyl(methyl)amino]-2-(2-chloro-6-fluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
SMILESCOCc1ccccc1CNC(=O)[C@@H](c1c(F)cccc1Cl)N(C)C(C)=O
InChIInChI=1S/C20H22ClFN2O3/c1-13(25)24(2)19(18-16(21)9-6-10-17(18)22)20(26)23-11-14-7-4-5-8-15(14)12-27-3/h4-10,19H,11-12H2,1-3H3,(H,23,26)/t19-/m1/s1
InChIKeyROCPASOLKPARID-LJQANCHMSA-N
MW392.86 g/mol
LogP3.46
Rot. Bonds7

About (2R)-2-[acetyl(methyl)amino]-2-(2-chloro-6-fluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide

(2R)-2-[acetyl(methyl)amino]-2-(2-chloro-6-fluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide (PubChem CID 99783779) has the molecular formula C20H22ClFN2O3 and a molecular weight of 392.86 g/mol. Its IUPAC name is (2R)-2-[acetyl(methyl)amino]-2-(2-chloro-6-fluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name(2R)-2-[acetyl(methyl)amino]-2-(2-chloro-6-fluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
PubChem CID99783779
Molecular FormulaC20H22ClFN2O3
Molecular Weight392.86 g/mol
Exact Mass392.13
IUPAC Name(2R)-2-[acetyl(methyl)amino]-2-(2-chloro-6-fluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
SMILESCOCc1ccccc1CNC(=O)[C@@H](c1c(F)cccc1Cl)N(C)C(C)=O
InChIInChI=1S/C20H22ClFN2O3/c1-13(25)24(2)19(18-16(21)9-6-10-17(18)22)20(26)23-11-14-7-4-5-8-15(14)12-27-3/h4-10,19H,11-12H2,1-3H3,(H,23,26)/t19-/m1/s1
InChIKeyROCPASOLKPARID-LJQANCHMSA-N
XLogP3.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.86
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 71874577
(2S)-2-[acetyl(methyl)amino]-2-(2-chloro-6-fluorophenyl)-N-[(2S)-4-hydroxy-3,3-dimethyl-2-phenylbutyl]acetamide
CID 99783898
2,3-difluoro-N-[[2-(methoxymethyl)phenyl]methyl]benzamide
CID 62649576
(2R)-2-[acetyl(methyl)amino]-2-(2-chloro-6-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)acetamide
CID 99783869
1-[1-(4-fluorophenyl)ethyl]-3-[[2-(methoxymethyl)phenyl]methyl]-1-methylurea
CID 134006438
4-fluoro-3-(methoxymethyl)-N-[[2-(methoxymethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 32603940
2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-chlorophenyl)methyl]-2-phenylacetamide
CID 133238116
N-[[2-(methoxymethyl)phenyl]methyl]-2-(methylamino)propanamide
CID 55096555
2-fluoro-N-[1-[[2-(methoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 134023150
2-[acetyl(methyl)amino]-2-(2,6-dichlorophenyl)acetic acid
CID 63703488
methyl 2-(2-chloro-6-fluorophenyl)-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]acetate
CID 86788219
1-[(2-chlorophenyl)methyl]-3-[[2-(methoxymethyl)phenyl]methyl]-2-methylguanidine
CID 111175183

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[acetyl(methyl)amino]-2-(2-chloro-6-fluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide?
The IUPAC name of (2R)-2-[acetyl(methyl)amino]-2-(2-chloro-6-fluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide (CID 99783779) is (2R)-2-[acetyl(methyl)amino]-2-(2-chloro-6-fluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for (2R)-2-[acetyl(methyl)amino]-2-(2-chloro-6-fluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for (2R)-2-[acetyl(methyl)amino]-2-(2-chloro-6-fluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide is COCc1ccccc1CNC(=O)[C@@H](c1c(F)cccc1Cl)N(C)C(C)=O.
What is the InChIKey of (2R)-2-[acetyl(methyl)amino]-2-(2-chloro-6-fluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide?
The InChIKey is ROCPASOLKPARID-LJQANCHMSA-N. The full InChI is InChI=1S/C20H22ClFN2O3/c1-13(25)24(2)19(18-16(21)9-6-10-17(18)22)20(26)23-11-14-7-4-5-8-15(14)12-27-3/h4-10,19H,11-12H2,1-3H3,(H,23,26)/t19-/m1/s1.
What are the key properties of (2R)-2-[acetyl(methyl)amino]-2-(2-chloro-6-fluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide?
(2R)-2-[acetyl(methyl)amino]-2-(2-chloro-6-fluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide has a molecular weight of 392.86 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[acetyl(methyl)amino]-2-(2-chloro-6-fluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 99783779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).