N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-phenylmethoxybenzamide

C23H20F2N2O3 — CID 55501489

IUPACN-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-phenylmethoxybenzamide
SMILESCNC(=O)C(NC(=O)c1cccc(OCc2ccccc2)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C23H20F2N2O3/c1-26-23(29)21(16-10-11-19(24)20(25)13-16)27-22(28)17-8-5-9-18(12-17)30-14-15-6-3-2-4-7-15/h2-13,21H,14H2,1H3,(H,26,29)(H,27,28)
InChIKeyGTTWVBRDCYEXLS-UHFFFAOYSA-N
MW410.42 g/mol
LogP3.76
Rot. Bonds7

About N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-phenylmethoxybenzamide

N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-phenylmethoxybenzamide (PubChem CID 55501489) has the molecular formula C23H20F2N2O3 and a molecular weight of 410.42 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-phenylmethoxybenzamide
PubChem CID55501489
Molecular FormulaC23H20F2N2O3
Molecular Weight410.42 g/mol
Exact Mass410.14
IUPAC NameN-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-phenylmethoxybenzamide
SMILESCNC(=O)C(NC(=O)c1cccc(OCc2ccccc2)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C23H20F2N2O3/c1-26-23(29)21(16-10-11-19(24)20(25)13-16)27-22(28)17-8-5-9-18(12-17)30-14-15-6-3-2-4-7-15/h2-13,21H,14H2,1H3,(H,26,29)(H,27,28)
InChIKeyGTTWVBRDCYEXLS-UHFFFAOYSA-N
XLogP3.76
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(methoxymethyl)benzamide
CID 134051659
N-[(1R)-1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]benzamide
CID 95402613
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-(2,2,2-trifluoroethoxy)benzamide
CID 55629313
N-[(1S)-1-(4-methoxyphenyl)propyl]-3-phenylmethoxybenzamide
CID 38005412
3-phenylmethoxy-N-[(1S)-1-phenylpropyl]benzamide
CID 93234582
3-chloro-N-[2-[[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 134051673
N-(3-chloro-4-fluorophenyl)-3-phenylmethoxybenzamide
CID 1074686
4-(difluoromethoxy)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-methoxybenzamide
CID 55483410
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-(pyridin-3-ylmethylsulfanyl)benzamide
CID 55691366
3-[(2-fluorophenyl)methoxy]-N-methylbenzamide
CID 13176420
N-[(2S)-1-(4-methylphenoxy)propan-2-yl]-3-phenylmethoxybenzamide
CID 97498534
N-[4-[(2R)-butan-2-yl]phenyl]-3-phenylmethoxybenzamide
CID 8778703

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-phenylmethoxybenzamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-phenylmethoxybenzamide (CID 55501489) is N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-phenylmethoxybenzamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-phenylmethoxybenzamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-phenylmethoxybenzamide is CNC(=O)C(NC(=O)c1cccc(OCc2ccccc2)c1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-phenylmethoxybenzamide?
The InChIKey is GTTWVBRDCYEXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N2O3/c1-26-23(29)21(16-10-11-19(24)20(25)13-16)27-22(28)17-8-5-9-18(12-17)30-14-15-6-3-2-4-7-15/h2-13,21H,14H2,1H3,(H,26,29)(H,27,28).
What are the key properties of N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-phenylmethoxybenzamide?
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-phenylmethoxybenzamide has a molecular weight of 410.42 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-phenylmethoxybenzamide is sourced from PubChem (CID 55501489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).