4-(difluoromethoxy)-3-methoxy-N-pyridin-4-ylbenzamide

C14H12F2N2O3 — CID 3461577

IUPAC4-(difluoromethoxy)-3-methoxy-N-pyridin-4-ylbenzamide
SMILESCOc1cc(C(=O)Nc2ccncc2)ccc1OC(F)F
InChIInChI=1S/C14H12F2N2O3/c1-20-12-8-9(2-3-11(12)21-14(15)16)13(19)18-10-4-6-17-7-5-10/h2-8,14H,1H3,(H,17,18,19)
InChIKeyFPDBORUGCVRLKT-UHFFFAOYSA-N
MW294.26 g/mol
LogP2.94
Rot. Bonds5

About 4-(difluoromethoxy)-3-methoxy-N-pyridin-4-ylbenzamide

4-(difluoromethoxy)-3-methoxy-N-pyridin-4-ylbenzamide (PubChem CID 3461577) has the molecular formula C14H12F2N2O3 and a molecular weight of 294.26 g/mol. Its IUPAC name is 4-(difluoromethoxy)-3-methoxy-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-3-methoxy-N-pyridin-4-ylbenzamide
PubChem CID3461577
Molecular FormulaC14H12F2N2O3
Molecular Weight294.26 g/mol
Exact Mass294.08
IUPAC Name4-(difluoromethoxy)-3-methoxy-N-pyridin-4-ylbenzamide
SMILESCOc1cc(C(=O)Nc2ccncc2)ccc1OC(F)F
InChIInChI=1S/C14H12F2N2O3/c1-20-12-8-9(2-3-11(12)21-14(15)16)13(19)18-10-4-6-17-7-5-10/h2-8,14H,1H3,(H,17,18,19)
InChIKeyFPDBORUGCVRLKT-UHFFFAOYSA-N
XLogP2.94
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethoxy)-3-methoxy-N-phenylbenzamide
CID 2171846
4-(difluoromethoxy)-3-methoxy-N-(4-sulfamoylphenyl)benzamide
CID 9314405
N-[4-(difluoromethoxy)-3-methoxyphenyl]-4-methylbenzamide
CID 4865288
N-[4-(diethylcarbamoyl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 8503672
4-(difluoromethoxy)-3-methoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 55474776
4-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxybenzamide
CID 1000603
4-(difluoromethoxy)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-3-methoxybenzamide
CID 37065204
4-(difluoromethoxy)-N-[2-(difluoromethoxy)phenyl]-3-methoxybenzamide
CID 8502681
methyl 2-[[3-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]benzoyl]amino]acetate
CID 55727946
N-[4-(tert-butylcarbamoyl)phenyl]-3-(difluoromethoxy)-4-methoxybenzamide
CID 55762006
N-(3-bromophenyl)-3-(difluoromethoxy)-4-methoxybenzamide
CID 46482952
4-hexoxy-3-methoxy-N-pyridin-4-ylbenzamide
CID 60589873

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-3-methoxy-N-pyridin-4-ylbenzamide?
The IUPAC name of 4-(difluoromethoxy)-3-methoxy-N-pyridin-4-ylbenzamide (CID 3461577) is 4-(difluoromethoxy)-3-methoxy-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 4-(difluoromethoxy)-3-methoxy-N-pyridin-4-ylbenzamide?
The canonical SMILES for 4-(difluoromethoxy)-3-methoxy-N-pyridin-4-ylbenzamide is COc1cc(C(=O)Nc2ccncc2)ccc1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-3-methoxy-N-pyridin-4-ylbenzamide?
The InChIKey is FPDBORUGCVRLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O3/c1-20-12-8-9(2-3-11(12)21-14(15)16)13(19)18-10-4-6-17-7-5-10/h2-8,14H,1H3,(H,17,18,19).
What are the key properties of 4-(difluoromethoxy)-3-methoxy-N-pyridin-4-ylbenzamide?
4-(difluoromethoxy)-3-methoxy-N-pyridin-4-ylbenzamide has a molecular weight of 294.26 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-3-methoxy-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 3461577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).