4-(difluoromethoxy)-N-(furan-2-ylmethyl)-3-methoxy-N-(4-methylphenyl)benzamide

C21H19F2NO4 — CID 18267461

IUPAC4-(difluoromethoxy)-N-(furan-2-ylmethyl)-3-methoxy-N-(4-methylphenyl)benzamide
SMILESCOc1cc(C(=O)N(Cc2ccco2)c2ccc(C)cc2)ccc1OC(F)F
InChIInChI=1S/C21H19F2NO4/c1-14-5-8-16(9-6-14)24(13-17-4-3-11-27-17)20(25)15-7-10-18(28-21(22)23)19(12-15)26-2/h3-12,21H,13H2,1-2H3
InChIKeyDYFCTTNSEHKWBT-UHFFFAOYSA-N
MW387.38 g/mol
LogP5.05
Rot. Bonds7

About 4-(difluoromethoxy)-N-(furan-2-ylmethyl)-3-methoxy-N-(4-methylphenyl)benzamide

4-(difluoromethoxy)-N-(furan-2-ylmethyl)-3-methoxy-N-(4-methylphenyl)benzamide (PubChem CID 18267461) has the molecular formula C21H19F2NO4 and a molecular weight of 387.38 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-(furan-2-ylmethyl)-3-methoxy-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-(furan-2-ylmethyl)-3-methoxy-N-(4-methylphenyl)benzamide
PubChem CID18267461
Molecular FormulaC21H19F2NO4
Molecular Weight387.38 g/mol
Exact Mass387.13
IUPAC Name4-(difluoromethoxy)-N-(furan-2-ylmethyl)-3-methoxy-N-(4-methylphenyl)benzamide
SMILESCOc1cc(C(=O)N(Cc2ccco2)c2ccc(C)cc2)ccc1OC(F)F
InChIInChI=1S/C21H19F2NO4/c1-14-5-8-16(9-6-14)24(13-17-4-3-11-27-17)20(25)15-7-10-18(28-21(22)23)19(12-15)26-2/h3-12,21H,13H2,1-2H3
InChIKeyDYFCTTNSEHKWBT-UHFFFAOYSA-N
XLogP5.05
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.38
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-2-(2-methoxy-4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 31964022
3,5-difluoro-N-(furan-2-ylmethyl)-N-(4-methylphenyl)benzamide
CID 18226162
N-(furan-2-ylmethyl)-4-methoxy-N-phenyl-3-(propan-2-ylsulfamoyl)benzamide
CID 18139227
N-(furan-2-ylmethyl)-3,5-dimethoxy-N-phenylbenzamide
CID 18100555
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)butanamide
CID 55455752
4-chloro-N-(3,4-dimethylphenyl)-N-(furan-2-ylmethyl)benzamide
CID 35345535
N-(furan-2-ylmethyl)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 18192896
N-(furan-2-ylmethyl)-3,5-dimethoxy-N,4-dimethylbenzamide
CID 31288728
N-(furan-2-ylmethyl)-N-(4-methylphenyl)butanamide
CID 60528113
1-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]-1-(4-methylphenyl)thiourea
CID 22305987
N-(furan-2-ylmethyl)-2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide
CID 55606670
N-(1-aminopropan-2-yl)-4-(difluoromethoxy)-3-methoxy-N-methylbenzamide;hydrochloride
CID 119584895

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-(furan-2-ylmethyl)-3-methoxy-N-(4-methylphenyl)benzamide?
The IUPAC name of 4-(difluoromethoxy)-N-(furan-2-ylmethyl)-3-methoxy-N-(4-methylphenyl)benzamide (CID 18267461) is 4-(difluoromethoxy)-N-(furan-2-ylmethyl)-3-methoxy-N-(4-methylphenyl)benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-(furan-2-ylmethyl)-3-methoxy-N-(4-methylphenyl)benzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-(furan-2-ylmethyl)-3-methoxy-N-(4-methylphenyl)benzamide is COc1cc(C(=O)N(Cc2ccco2)c2ccc(C)cc2)ccc1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-N-(furan-2-ylmethyl)-3-methoxy-N-(4-methylphenyl)benzamide?
The InChIKey is DYFCTTNSEHKWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2NO4/c1-14-5-8-16(9-6-14)24(13-17-4-3-11-27-17)20(25)15-7-10-18(28-21(22)23)19(12-15)26-2/h3-12,21H,13H2,1-2H3.
What are the key properties of 4-(difluoromethoxy)-N-(furan-2-ylmethyl)-3-methoxy-N-(4-methylphenyl)benzamide?
4-(difluoromethoxy)-N-(furan-2-ylmethyl)-3-methoxy-N-(4-methylphenyl)benzamide has a molecular weight of 387.38 g/mol, XLogP of 5.05, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-(furan-2-ylmethyl)-3-methoxy-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 18267461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).