N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-2-(difluoromethoxy)-3-methoxybenzamide

C23H26F2N2O4 — CID 52713085

IUPACN-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-2-(difluoromethoxy)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)cc2)c1OC(F)F
InChIInChI=1S/C23H26F2N2O4/c1-27(17-7-4-3-5-8-17)22(29)15-11-13-16(14-12-15)26-21(28)18-9-6-10-19(30-2)20(18)31-23(24)25/h6,9-14,17,23H,3-5,7-8H2,1-2H3,(H,26,28)
InChIKeyIPZASAJDJBUARM-UHFFFAOYSA-N
MW432.47 g/mol
LogP4.95
Rot. Bonds7

About N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-2-(difluoromethoxy)-3-methoxybenzamide

N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-2-(difluoromethoxy)-3-methoxybenzamide (PubChem CID 52713085) has the molecular formula C23H26F2N2O4 and a molecular weight of 432.47 g/mol. Its IUPAC name is N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-2-(difluoromethoxy)-3-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-2-(difluoromethoxy)-3-methoxybenzamide
PubChem CID52713085
Molecular FormulaC23H26F2N2O4
Molecular Weight432.47 g/mol
Exact Mass432.19
IUPAC NameN-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-2-(difluoromethoxy)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)cc2)c1OC(F)F
InChIInChI=1S/C23H26F2N2O4/c1-27(17-7-4-3-5-8-17)22(29)15-11-13-16(14-12-15)26-21(28)18-9-6-10-19(30-2)20(18)31-23(24)25/h6,9-14,17,23H,3-5,7-8H2,1-2H3,(H,26,28)
InChIKeyIPZASAJDJBUARM-UHFFFAOYSA-N
XLogP4.95
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.47
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(difluoromethoxy)-3-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 55342317
2-(difluoromethoxy)-3-methoxy-N-(4-propylphenyl)benzamide
CID 112765648
N-[4-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]phenyl]furan-2-carboxamide
CID 55505645
2-(difluoromethoxy)-N-[4-(dimethylcarbamoyl)phenyl]benzamide
CID 26904916
N-cyclohexyl-2-[(2-methoxybenzoyl)amino]-N-methylbenzamide
CID 4938981
N-(3-bromophenyl)-2-(difluoromethoxy)-3-methoxybenzamide
CID 51148287
2-(difluoromethoxy)-3-methoxy-N-(3-methylsulfanylphenyl)benzamide
CID 51149413
2-(difluoromethoxy)-N-(3-ethylphenyl)-3-methoxybenzamide
CID 51143865
2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-[4-(difluoromethoxy)phenyl]benzamide
CID 55332093
2-(difluoromethoxy)-3-methoxy-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55798612
2-(difluoromethoxy)-3-methoxy-N-(4-methylcyclohexyl)benzamide
CID 51154491
5-amino-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methylbenzamide
CID 120624848

Frequently Asked Questions

What is the IUPAC name of N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-2-(difluoromethoxy)-3-methoxybenzamide?
The IUPAC name of N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-2-(difluoromethoxy)-3-methoxybenzamide (CID 52713085) is N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-2-(difluoromethoxy)-3-methoxybenzamide.
What is the SMILES notation for N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-2-(difluoromethoxy)-3-methoxybenzamide?
The canonical SMILES for N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-2-(difluoromethoxy)-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)cc2)c1OC(F)F.
What is the InChIKey of N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-2-(difluoromethoxy)-3-methoxybenzamide?
The InChIKey is IPZASAJDJBUARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N2O4/c1-27(17-7-4-3-5-8-17)22(29)15-11-13-16(14-12-15)26-21(28)18-9-6-10-19(30-2)20(18)31-23(24)25/h6,9-14,17,23H,3-5,7-8H2,1-2H3,(H,26,28).
What are the key properties of N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-2-(difluoromethoxy)-3-methoxybenzamide?
N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-2-(difluoromethoxy)-3-methoxybenzamide has a molecular weight of 432.47 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-2-(difluoromethoxy)-3-methoxybenzamide is sourced from PubChem (CID 52713085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).