2,3-difluoro-6-methoxy-N-[2-(methylamino)-2-oxo-1-phenylethyl]benzamide

C17H16F2N2O3 — CID 91774325

IUPAC2,3-difluoro-6-methoxy-N-[2-(methylamino)-2-oxo-1-phenylethyl]benzamide
SMILESCNC(=O)C(NC(=O)c1c(OC)ccc(F)c1F)c1ccccc1
InChIInChI=1S/C17H16F2N2O3/c1-20-17(23)15(10-6-4-3-5-7-10)21-16(22)13-12(24-2)9-8-11(18)14(13)19/h3-9,15H,1-2H3,(H,20,23)(H,21,22)
InChIKeyAFCAKEVVPNIWOR-UHFFFAOYSA-N
MW334.32 g/mol
LogP2.19
Rot. Bonds5

About 2,3-difluoro-6-methoxy-N-[2-(methylamino)-2-oxo-1-phenylethyl]benzamide

2,3-difluoro-6-methoxy-N-[2-(methylamino)-2-oxo-1-phenylethyl]benzamide (PubChem CID 91774325) has the molecular formula C17H16F2N2O3 and a molecular weight of 334.32 g/mol. Its IUPAC name is 2,3-difluoro-6-methoxy-N-[2-(methylamino)-2-oxo-1-phenylethyl]benzamide.

Molecular Properties

Compound Name2,3-difluoro-6-methoxy-N-[2-(methylamino)-2-oxo-1-phenylethyl]benzamide
PubChem CID91774325
Molecular FormulaC17H16F2N2O3
Molecular Weight334.32 g/mol
Exact Mass334.11
IUPAC Name2,3-difluoro-6-methoxy-N-[2-(methylamino)-2-oxo-1-phenylethyl]benzamide
SMILESCNC(=O)C(NC(=O)c1c(OC)ccc(F)c1F)c1ccccc1
InChIInChI=1S/C17H16F2N2O3/c1-20-17(23)15(10-6-4-3-5-7-10)21-16(22)13-12(24-2)9-8-11(18)14(13)19/h3-9,15H,1-2H3,(H,20,23)(H,21,22)
InChIKeyAFCAKEVVPNIWOR-UHFFFAOYSA-N
XLogP2.19
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]benzamide
CID 95402613
N-methyl-2-phenyl-2-(propan-2-ylcarbamoylamino)acetamide
CID 47075853
4-(difluoromethoxy)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-methoxybenzamide
CID 55483410
3,5-dimethyl-N-[2-(methylamino)-2-oxo-1-phenylethyl]-1,2-oxazole-4-carboxamide
CID 75461414
3,5-ditert-butyl-4-methoxy-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]benzamide
CID 25118291
N-methyl-2-(methylamino)-2-phenylacetamide
CID 3738076
N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-4-fluoro-3-methoxybenzamide
CID 86779379
(2R)-2-[[(3S)-3-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)propyl]amino]-N-methyl-2-phenylacetamide
CID 69041447
(2R)-2-[[(3S)-3-(2-chloro-3,4-dimethoxyphenyl)-3-(4-chlorophenyl)propyl]amino]-N-methyl-2-phenylacetamide
CID 69044499
2,3,4,5,6-pentafluoro-N-[(R)-(4-methoxyphenyl)-phenylmethyl]benzamide
CID 2190610
(2R)-2-[[(2S)-butan-2-yl]carbamoylamino]-N-methyl-2-phenylacetamide
CID 95320744
N-(2-amino-1-phenylethyl)-2-fluoro-6-methoxybenzamide
CID 65432150

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-6-methoxy-N-[2-(methylamino)-2-oxo-1-phenylethyl]benzamide?
The IUPAC name of 2,3-difluoro-6-methoxy-N-[2-(methylamino)-2-oxo-1-phenylethyl]benzamide (CID 91774325) is 2,3-difluoro-6-methoxy-N-[2-(methylamino)-2-oxo-1-phenylethyl]benzamide.
What is the SMILES notation for 2,3-difluoro-6-methoxy-N-[2-(methylamino)-2-oxo-1-phenylethyl]benzamide?
The canonical SMILES for 2,3-difluoro-6-methoxy-N-[2-(methylamino)-2-oxo-1-phenylethyl]benzamide is CNC(=O)C(NC(=O)c1c(OC)ccc(F)c1F)c1ccccc1.
What is the InChIKey of 2,3-difluoro-6-methoxy-N-[2-(methylamino)-2-oxo-1-phenylethyl]benzamide?
The InChIKey is AFCAKEVVPNIWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O3/c1-20-17(23)15(10-6-4-3-5-7-10)21-16(22)13-12(24-2)9-8-11(18)14(13)19/h3-9,15H,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 2,3-difluoro-6-methoxy-N-[2-(methylamino)-2-oxo-1-phenylethyl]benzamide?
2,3-difluoro-6-methoxy-N-[2-(methylamino)-2-oxo-1-phenylethyl]benzamide has a molecular weight of 334.32 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-6-methoxy-N-[2-(methylamino)-2-oxo-1-phenylethyl]benzamide is sourced from PubChem (CID 91774325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).