N-[4-(tert-butylcarbamoyl)phenyl]-3-(difluoromethoxy)-4-methoxybenzamide

C20H22F2N2O4 — CID 55762006

IUPACN-[4-(tert-butylcarbamoyl)phenyl]-3-(difluoromethoxy)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)cc1OC(F)F
InChIInChI=1S/C20H22F2N2O4/c1-20(2,3)24-18(26)12-5-8-14(9-6-12)23-17(25)13-7-10-15(27-4)16(11-13)28-19(21)22/h5-11,19H,1-4H3,(H,23,25)(H,24,26)
InChIKeyKQCGGAUHZITYCV-UHFFFAOYSA-N
MW392.40 g/mol
LogP4.08
Rot. Bonds6

About N-[4-(tert-butylcarbamoyl)phenyl]-3-(difluoromethoxy)-4-methoxybenzamide

N-[4-(tert-butylcarbamoyl)phenyl]-3-(difluoromethoxy)-4-methoxybenzamide (PubChem CID 55762006) has the molecular formula C20H22F2N2O4 and a molecular weight of 392.40 g/mol. Its IUPAC name is N-[4-(tert-butylcarbamoyl)phenyl]-3-(difluoromethoxy)-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(tert-butylcarbamoyl)phenyl]-3-(difluoromethoxy)-4-methoxybenzamide
PubChem CID55762006
Molecular FormulaC20H22F2N2O4
Molecular Weight392.40 g/mol
Exact Mass392.15
IUPAC NameN-[4-(tert-butylcarbamoyl)phenyl]-3-(difluoromethoxy)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)cc1OC(F)F
InChIInChI=1S/C20H22F2N2O4/c1-20(2,3)24-18(26)12-5-8-14(9-6-12)23-17(25)13-7-10-15(27-4)16(11-13)28-19(21)22/h5-11,19H,1-4H3,(H,23,25)(H,24,26)
InChIKeyKQCGGAUHZITYCV-UHFFFAOYSA-N
XLogP4.08
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.40
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-3-[3-(difluoromethoxy)-4-methoxyphenyl]urea
CID 78842481
4-(difluoromethoxy)-3-methoxy-N-phenylbenzamide
CID 2171846
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 15994045
4-(difluoromethoxy)-3-methoxy-N-pyridin-4-ylbenzamide
CID 3461577
N-(3-bromophenyl)-3-(difluoromethoxy)-4-methoxybenzamide
CID 46482952
4-(difluoromethoxy)-3-methoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 55474776
4-(difluoromethoxy)-3-methoxy-N-(4-sulfamoylphenyl)benzamide
CID 9314405
N-[4-(difluoromethoxy)-3-methoxyphenyl]-4-methylbenzamide
CID 4865288
N-(4-chloro-3-cyanophenyl)-3-(difluoromethoxy)-4-methoxybenzamide
CID 55758526
4-N-tert-butyl-1-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 48845743
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-(difluoromethoxy)-4-methoxybenzamide
CID 55759479
N-[3-(difluoromethoxy)-4-methoxyphenyl]-3,5-bis(trifluoromethyl)benzamide
CID 46540432

Frequently Asked Questions

What is the IUPAC name of N-[4-(tert-butylcarbamoyl)phenyl]-3-(difluoromethoxy)-4-methoxybenzamide?
The IUPAC name of N-[4-(tert-butylcarbamoyl)phenyl]-3-(difluoromethoxy)-4-methoxybenzamide (CID 55762006) is N-[4-(tert-butylcarbamoyl)phenyl]-3-(difluoromethoxy)-4-methoxybenzamide.
What is the SMILES notation for N-[4-(tert-butylcarbamoyl)phenyl]-3-(difluoromethoxy)-4-methoxybenzamide?
The canonical SMILES for N-[4-(tert-butylcarbamoyl)phenyl]-3-(difluoromethoxy)-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)cc1OC(F)F.
What is the InChIKey of N-[4-(tert-butylcarbamoyl)phenyl]-3-(difluoromethoxy)-4-methoxybenzamide?
The InChIKey is KQCGGAUHZITYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O4/c1-20(2,3)24-18(26)12-5-8-14(9-6-12)23-17(25)13-7-10-15(27-4)16(11-13)28-19(21)22/h5-11,19H,1-4H3,(H,23,25)(H,24,26).
What are the key properties of N-[4-(tert-butylcarbamoyl)phenyl]-3-(difluoromethoxy)-4-methoxybenzamide?
N-[4-(tert-butylcarbamoyl)phenyl]-3-(difluoromethoxy)-4-methoxybenzamide has a molecular weight of 392.40 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(tert-butylcarbamoyl)phenyl]-3-(difluoromethoxy)-4-methoxybenzamide is sourced from PubChem (CID 55762006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).