N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide

C18H17ClF2N2O4 — CID 26637470

IUPACN-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC(=O)Nc2ccc(C)cc2Cl)ccc1OC(F)F
InChIInChI=1S/C18H17ClF2N2O4/c1-10-3-5-13(12(19)7-10)23-16(24)9-22-17(25)11-4-6-14(27-18(20)21)15(8-11)26-2/h3-8,18H,9H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyLJZQKPCETLMLNJ-UHFFFAOYSA-N
MW398.79 g/mol
LogP3.63
Rot. Bonds7

About N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide

N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide (PubChem CID 26637470) has the molecular formula C18H17ClF2N2O4 and a molecular weight of 398.79 g/mol. Its IUPAC name is N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
PubChem CID26637470
Molecular FormulaC18H17ClF2N2O4
Molecular Weight398.79 g/mol
Exact Mass398.08
IUPAC NameN-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC(=O)Nc2ccc(C)cc2Cl)ccc1OC(F)F
InChIInChI=1S/C18H17ClF2N2O4/c1-10-3-5-13(12(19)7-10)23-16(24)9-22-17(25)11-4-6-14(27-18(20)21)15(8-11)26-2/h3-8,18H,9H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyLJZQKPCETLMLNJ-UHFFFAOYSA-N
XLogP3.63
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.79
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 27739745
N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-4-methoxy-3-nitrobenzamide
CID 26637653
N-[2-(3-chloroanilino)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 9412072
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 26533075
4-(difluoromethoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-3-methoxybenzamide
CID 9412323
4-(difluoromethoxy)-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 31553535
N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 9217161
4-(difluoromethoxy)-3-methoxy-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
CID 35515205
N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 113001595
4-(difluoromethoxy)-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 78783270
N-[2-(cycloheptylamino)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 9217777
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 N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide?
The IUPAC name of N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide (CID 26637470) is N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide.
What is the SMILES notation for N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide?
The canonical SMILES for N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide is COc1cc(C(=O)NCC(=O)Nc2ccc(C)cc2Cl)ccc1OC(F)F.
What is the InChIKey of N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide?
The InChIKey is LJZQKPCETLMLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF2N2O4/c1-10-3-5-13(12(19)7-10)23-16(24)9-22-17(25)11-4-6-14(27-18(20)21)15(8-11)26-2/h3-8,18H,9H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide?
N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide has a molecular weight of 398.79 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide is sourced from PubChem (CID 26637470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).