N-[4-(difluoromethoxy)-3-methoxyphenyl]-4-methylbenzamide

C16H15F2NO3 — CID 4865288

IUPACN-[4-(difluoromethoxy)-3-methoxyphenyl]-4-methylbenzamide
SMILESCOc1cc(NC(=O)c2ccc(C)cc2)ccc1OC(F)F
InChIInChI=1S/C16H15F2NO3/c1-10-3-5-11(6-4-10)15(20)19-12-7-8-13(22-16(17)18)14(9-12)21-2/h3-9,16H,1-2H3,(H,19,20)
InChIKeyVVAVFIWDFHNAPA-UHFFFAOYSA-N
MW307.30 g/mol
LogP3.86
Rot. Bonds5

About N-[4-(difluoromethoxy)-3-methoxyphenyl]-4-methylbenzamide

N-[4-(difluoromethoxy)-3-methoxyphenyl]-4-methylbenzamide (PubChem CID 4865288) has the molecular formula C16H15F2NO3 and a molecular weight of 307.30 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)-3-methoxyphenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)-3-methoxyphenyl]-4-methylbenzamide
PubChem CID4865288
Molecular FormulaC16H15F2NO3
Molecular Weight307.30 g/mol
Exact Mass307.10
IUPAC NameN-[4-(difluoromethoxy)-3-methoxyphenyl]-4-methylbenzamide
SMILESCOc1cc(NC(=O)c2ccc(C)cc2)ccc1OC(F)F
InChIInChI=1S/C16H15F2NO3/c1-10-3-5-11(6-4-10)15(20)19-12-7-8-13(22-16(17)18)14(9-12)21-2/h3-9,16H,1-2H3,(H,19,20)
InChIKeyVVAVFIWDFHNAPA-UHFFFAOYSA-N
XLogP3.86
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-(4-methylphenyl)-4-propan-2-yloxybenzamide
CID 6457881
4-(difluoromethoxy)-3-methoxy-N-pyridin-4-ylbenzamide
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4-(difluoromethoxy)-3-methoxy-N-phenylbenzamide
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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
2-methoxy-4-[(4-methylbenzoyl)amino]benzoic acid
CID 107208693
4-(difluoromethoxy)-3-methoxy-N-(4-sulfamoylphenyl)benzamide
CID 9314405
N-[3-(difluoromethoxy)-4-methoxyphenyl]-3,5-bis(trifluoromethyl)benzamide
CID 46540432
N-(3,4-dimethoxyphenyl)-2-[(4-methylbenzoyl)amino]benzamide
CID 110602599
1-N-(3,4-dimethoxyphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide
CID 126493303
N-[4-(diethylcarbamoyl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 8503672
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CID 139018845

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)-3-methoxyphenyl]-4-methylbenzamide?
The IUPAC name of N-[4-(difluoromethoxy)-3-methoxyphenyl]-4-methylbenzamide (CID 4865288) is N-[4-(difluoromethoxy)-3-methoxyphenyl]-4-methylbenzamide.
What is the SMILES notation for N-[4-(difluoromethoxy)-3-methoxyphenyl]-4-methylbenzamide?
The canonical SMILES for N-[4-(difluoromethoxy)-3-methoxyphenyl]-4-methylbenzamide is COc1cc(NC(=O)c2ccc(C)cc2)ccc1OC(F)F.
What is the InChIKey of N-[4-(difluoromethoxy)-3-methoxyphenyl]-4-methylbenzamide?
The InChIKey is VVAVFIWDFHNAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO3/c1-10-3-5-11(6-4-10)15(20)19-12-7-8-13(22-16(17)18)14(9-12)21-2/h3-9,16H,1-2H3,(H,19,20).
What are the key properties of N-[4-(difluoromethoxy)-3-methoxyphenyl]-4-methylbenzamide?
N-[4-(difluoromethoxy)-3-methoxyphenyl]-4-methylbenzamide has a molecular weight of 307.30 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)-3-methoxyphenyl]-4-methylbenzamide is sourced from PubChem (CID 4865288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).