3-(difluoromethoxy)-4-methoxybenzamide

C9H9F2NO3 — CID 47245743

IUPAC3-(difluoromethoxy)-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1OC(F)F
InChIInChI=1S/C9H9F2NO3/c1-14-6-3-2-5(8(12)13)4-7(6)15-9(10)11/h2-4,9H,1H3,(H2,12,13)
InChIKeyAVAAGHRNPBPOLO-UHFFFAOYSA-N
MW217.17 g/mol
LogP1.40
Rot. Bonds4

About 3-(difluoromethoxy)-4-methoxybenzamide

3-(difluoromethoxy)-4-methoxybenzamide (PubChem CID 47245743) has the molecular formula C9H9F2NO3 and a molecular weight of 217.17 g/mol. Its IUPAC name is 3-(difluoromethoxy)-4-methoxybenzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-4-methoxybenzamide
PubChem CID47245743
Molecular FormulaC9H9F2NO3
Molecular Weight217.17 g/mol
Exact Mass217.06
IUPAC Name3-(difluoromethoxy)-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1OC(F)F
InChIInChI=1S/C9H9F2NO3/c1-14-6-3-2-5(8(12)13)4-7(6)15-9(10)11/h2-4,9H,1H3,(H2,12,13)
InChIKeyAVAAGHRNPBPOLO-UHFFFAOYSA-N
XLogP1.40
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.17
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(difluoromethoxy)-3-propan-2-yloxybenzamide;methyl acetate
CID 175553147
4-butoxy-3-(difluoromethoxy)benzamide
CID 175773492
4-(difluoromethoxy)-3-fluorobenzamide
CID 90825397
3-butoxy-4-(difluoromethoxy)benzamide
CID 90005400
N-(2-aminoethyl)-3-(difluoromethoxy)-4-methoxybenzamide
CID 119383172
(5-carbamoyl-2-methoxyphenyl) methyl carbonate
CID 122661696
2-[[3-(difluoromethoxy)-4-methoxybenzoyl]-methylamino]acetic acid
CID 119171808
N-(3-bromophenyl)-3-(difluoromethoxy)-4-methoxybenzamide
CID 46482952
2-bromo-1-[4-(difluoromethoxy)-3-methoxyphenyl]propan-1-one
CID 19106513
methyl 2-[3-(difluoromethoxy)-4-methoxyanilino]propanoate
CID 66174525
4-(difluoromethoxy)-3-methoxy-N-phenylbenzamide
CID 2171846
4-(3,4-dimethoxyphenyl)benzamide
CID 152593806

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-4-methoxybenzamide?
The IUPAC name of 3-(difluoromethoxy)-4-methoxybenzamide (CID 47245743) is 3-(difluoromethoxy)-4-methoxybenzamide.
What is the SMILES notation for 3-(difluoromethoxy)-4-methoxybenzamide?
The canonical SMILES for 3-(difluoromethoxy)-4-methoxybenzamide is COc1ccc(C(N)=O)cc1OC(F)F.
What is the InChIKey of 3-(difluoromethoxy)-4-methoxybenzamide?
The InChIKey is AVAAGHRNPBPOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO3/c1-14-6-3-2-5(8(12)13)4-7(6)15-9(10)11/h2-4,9H,1H3,(H2,12,13).
What are the key properties of 3-(difluoromethoxy)-4-methoxybenzamide?
3-(difluoromethoxy)-4-methoxybenzamide has a molecular weight of 217.17 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-4-methoxybenzamide is sourced from PubChem (CID 47245743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).