4-(difluoromethoxy)-3-methoxy-N-[2-(methylcarbamoyl)phenyl]benzamide

C17H16F2N2O4 — CID 51218194

IUPAC4-(difluoromethoxy)-3-methoxy-N-[2-(methylcarbamoyl)phenyl]benzamide
SMILESCNC(=O)c1ccccc1NC(=O)c1ccc(OC(F)F)c(OC)c1
InChIInChI=1S/C17H16F2N2O4/c1-20-16(23)11-5-3-4-6-12(11)21-15(22)10-7-8-13(25-17(18)19)14(9-10)24-2/h3-9,17H,1-2H3,(H,20,23)(H,21,22)
InChIKeyUCKOZXYRUHSFMT-UHFFFAOYSA-N
MW350.32 g/mol
LogP2.91
Rot. Bonds6

About 4-(difluoromethoxy)-3-methoxy-N-[2-(methylcarbamoyl)phenyl]benzamide

4-(difluoromethoxy)-3-methoxy-N-[2-(methylcarbamoyl)phenyl]benzamide (PubChem CID 51218194) has the molecular formula C17H16F2N2O4 and a molecular weight of 350.32 g/mol. Its IUPAC name is 4-(difluoromethoxy)-3-methoxy-N-[2-(methylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-3-methoxy-N-[2-(methylcarbamoyl)phenyl]benzamide
PubChem CID51218194
Molecular FormulaC17H16F2N2O4
Molecular Weight350.32 g/mol
Exact Mass350.11
IUPAC Name4-(difluoromethoxy)-3-methoxy-N-[2-(methylcarbamoyl)phenyl]benzamide
SMILESCNC(=O)c1ccccc1NC(=O)c1ccc(OC(F)F)c(OC)c1
InChIInChI=1S/C17H16F2N2O4/c1-20-16(23)11-5-3-4-6-12(11)21-15(22)10-7-8-13(25-17(18)19)14(9-10)24-2/h3-9,17H,1-2H3,(H,20,23)(H,21,22)
InChIKeyUCKOZXYRUHSFMT-UHFFFAOYSA-N
XLogP2.91
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.32
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethoxy)-N-[2-(difluoromethoxy)phenyl]-3-methoxybenzamide
CID 8502681
4-(difluoromethoxy)-3-methoxy-N-(2-methylsulfanylphenyl)benzamide
CID 4864816
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-(difluoromethoxy)-4-methoxybenzamide
CID 55759479
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 26549786
4-(difluoromethoxy)-3-methoxy-N-phenylbenzamide
CID 2171846
N-(2-acetylphenyl)-3,4-dimethoxybenzamide
CID 17394178
3,4-diethoxy-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 34752310
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 55656321
3,4-dimethoxy-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide
CID 18089928
3,4-dimethoxy-N-[2-[[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 6886720
2-bromo-N-[2-[[(3,4-dimethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 55358458
4-(difluoromethoxy)-3-methoxy-N-pyridin-4-ylbenzamide
CID 3461577

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-3-methoxy-N-[2-(methylcarbamoyl)phenyl]benzamide?
The IUPAC name of 4-(difluoromethoxy)-3-methoxy-N-[2-(methylcarbamoyl)phenyl]benzamide (CID 51218194) is 4-(difluoromethoxy)-3-methoxy-N-[2-(methylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-3-methoxy-N-[2-(methylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-3-methoxy-N-[2-(methylcarbamoyl)phenyl]benzamide is CNC(=O)c1ccccc1NC(=O)c1ccc(OC(F)F)c(OC)c1.
What is the InChIKey of 4-(difluoromethoxy)-3-methoxy-N-[2-(methylcarbamoyl)phenyl]benzamide?
The InChIKey is UCKOZXYRUHSFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O4/c1-20-16(23)11-5-3-4-6-12(11)21-15(22)10-7-8-13(25-17(18)19)14(9-10)24-2/h3-9,17H,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 4-(difluoromethoxy)-3-methoxy-N-[2-(methylcarbamoyl)phenyl]benzamide?
4-(difluoromethoxy)-3-methoxy-N-[2-(methylcarbamoyl)phenyl]benzamide has a molecular weight of 350.32 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-3-methoxy-N-[2-(methylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 51218194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).