4-(difluoromethoxy)-3-methoxy-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide

C16H22F2N2O4 — CID 35515205

IUPAC4-(difluoromethoxy)-3-methoxy-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
SMILESCOc1cc(C(=O)NCC(=O)NCCC(C)C)ccc1OC(F)F
InChIInChI=1S/C16H22F2N2O4/c1-10(2)6-7-19-14(21)9-20-15(22)11-4-5-12(24-16(17)18)13(8-11)23-3/h4-5,8,10,16H,6-7,9H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyRJGWYTDTBGCPAO-UHFFFAOYSA-N
MW344.36 g/mol
LogP2.19
Rot. Bonds9

About 4-(difluoromethoxy)-3-methoxy-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide

4-(difluoromethoxy)-3-methoxy-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide (PubChem CID 35515205) has the molecular formula C16H22F2N2O4 and a molecular weight of 344.36 g/mol. Its IUPAC name is 4-(difluoromethoxy)-3-methoxy-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-3-methoxy-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
PubChem CID35515205
Molecular FormulaC16H22F2N2O4
Molecular Weight344.36 g/mol
Exact Mass344.15
IUPAC Name4-(difluoromethoxy)-3-methoxy-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
SMILESCOc1cc(C(=O)NCC(=O)NCCC(C)C)ccc1OC(F)F
InChIInChI=1S/C16H22F2N2O4/c1-10(2)6-7-19-14(21)9-20-15(22)11-4-5-12(24-16(17)18)13(8-11)23-3/h4-5,8,10,16H,6-7,9H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyRJGWYTDTBGCPAO-UHFFFAOYSA-N
XLogP2.19
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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)-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 78783270
4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]benzamide
CID 9315107
4-(difluoromethoxy)-3-methoxy-N-propylbenzamide
CID 78768368
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 26533075
4-(difluoromethoxy)-N-[2-[3-[ethylsulfonyl(methyl)amino]propylamino]-2-oxoethyl]-3-methoxybenzamide
CID 55693685
[2-oxo-2-(propylamino)ethyl] 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate
CID 7580652
N-[2-(cycloheptylamino)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 9217777
4-(difluoromethoxy)-3-methoxy-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]benzamide
CID 55713768
4-(difluoromethoxy)-N-[2-[1-(2,6-difluorophenyl)propan-2-ylamino]-2-oxoethyl]-3-methoxybenzamide
CID 55923560
4-(difluoromethoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-3-methoxybenzamide
CID 9412323

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-3-methoxy-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide?
The IUPAC name of 4-(difluoromethoxy)-3-methoxy-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide (CID 35515205) is 4-(difluoromethoxy)-3-methoxy-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-3-methoxy-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-3-methoxy-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide is COc1cc(C(=O)NCC(=O)NCCC(C)C)ccc1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-3-methoxy-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide?
The InChIKey is RJGWYTDTBGCPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O4/c1-10(2)6-7-19-14(21)9-20-15(22)11-4-5-12(24-16(17)18)13(8-11)23-3/h4-5,8,10,16H,6-7,9H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of 4-(difluoromethoxy)-3-methoxy-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide?
4-(difluoromethoxy)-3-methoxy-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide has a molecular weight of 344.36 g/mol, XLogP of 2.19, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-3-methoxy-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 35515205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).