4-(difluoromethoxy)-N-(1,1-diphenylethyl)-3-methoxybenzamide

C23H21F2NO3 — CID 56522794

IUPAC4-(difluoromethoxy)-N-(1,1-diphenylethyl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC(C)(c2ccccc2)c2ccccc2)ccc1OC(F)F
InChIInChI=1S/C23H21F2NO3/c1-23(17-9-5-3-6-10-17,18-11-7-4-8-12-18)26-21(27)16-13-14-19(29-22(24)25)20(15-16)28-2/h3-15,22H,1-2H3,(H,26,27)
InChIKeyKVWJGAUSFFQYMT-UHFFFAOYSA-N
MW397.42 g/mol
LogP4.99
Rot. Bonds7

About 4-(difluoromethoxy)-N-(1,1-diphenylethyl)-3-methoxybenzamide

4-(difluoromethoxy)-N-(1,1-diphenylethyl)-3-methoxybenzamide (PubChem CID 56522794) has the molecular formula C23H21F2NO3 and a molecular weight of 397.42 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-(1,1-diphenylethyl)-3-methoxybenzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-(1,1-diphenylethyl)-3-methoxybenzamide
PubChem CID56522794
Molecular FormulaC23H21F2NO3
Molecular Weight397.42 g/mol
Exact Mass397.15
IUPAC Name4-(difluoromethoxy)-N-(1,1-diphenylethyl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC(C)(c2ccccc2)c2ccccc2)ccc1OC(F)F
InChIInChI=1S/C23H21F2NO3/c1-23(17-9-5-3-6-10-17,18-11-7-4-8-12-18)26-21(27)16-13-14-19(29-22(24)25)20(15-16)28-2/h3-15,22H,1-2H3,(H,26,27)
InChIKeyKVWJGAUSFFQYMT-UHFFFAOYSA-N
XLogP4.99
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.42
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(difluoromethoxy)-3-methoxy-N-phenylbenzamide
CID 2171846
4-(difluoromethoxy)-N-[2-(difluoromethoxy)phenyl]-3-methoxybenzamide
CID 8502681
1-tert-butyl-3-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]thiourea
CID 9425633
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide
CID 119600077
4-(difluoromethoxy)-3-methoxy-N-(2-methylsulfanylphenyl)benzamide
CID 4864816
4-(difluoromethoxy)-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 78783270
phenacyl 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate
CID 7580682
N'-[4-(difluoromethoxy)-3-methoxybenzoyl]pyridine-2-carbohydrazide
CID 9332711
N-[4-(tert-butylcarbamoyl)phenyl]-3-(difluoromethoxy)-4-methoxybenzamide
CID 55762006
4-(difluoromethoxy)-3-methoxy-N-propylbenzamide
CID 78768368
4-(difluoromethoxy)-3-methoxy-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 51218194
4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]benzamide
CID 9315107

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-(1,1-diphenylethyl)-3-methoxybenzamide?
The IUPAC name of 4-(difluoromethoxy)-N-(1,1-diphenylethyl)-3-methoxybenzamide (CID 56522794) is 4-(difluoromethoxy)-N-(1,1-diphenylethyl)-3-methoxybenzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-(1,1-diphenylethyl)-3-methoxybenzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-(1,1-diphenylethyl)-3-methoxybenzamide is COc1cc(C(=O)NC(C)(c2ccccc2)c2ccccc2)ccc1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-N-(1,1-diphenylethyl)-3-methoxybenzamide?
The InChIKey is KVWJGAUSFFQYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2NO3/c1-23(17-9-5-3-6-10-17,18-11-7-4-8-12-18)26-21(27)16-13-14-19(29-22(24)25)20(15-16)28-2/h3-15,22H,1-2H3,(H,26,27).
What are the key properties of 4-(difluoromethoxy)-N-(1,1-diphenylethyl)-3-methoxybenzamide?
4-(difluoromethoxy)-N-(1,1-diphenylethyl)-3-methoxybenzamide has a molecular weight of 397.42 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-(1,1-diphenylethyl)-3-methoxybenzamide is sourced from PubChem (CID 56522794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).