N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]benzamide

C18H18F2N2O4 — CID 40716159

IUPACN-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]benzamide
SMILESCOc1cc(CNC(=O)CNC(=O)c2ccccc2)ccc1OC(F)F
InChIInChI=1S/C18H18F2N2O4/c1-25-15-9-12(7-8-14(15)26-18(19)20)10-21-16(23)11-22-17(24)13-5-3-2-4-6-13/h2-9,18H,10-11H2,1H3,(H,21,23)(H,22,24)
InChIKeyQYZZKGYNMDKAIG-UHFFFAOYSA-N
MW364.35 g/mol
LogP2.34
Rot. Bonds8

About N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]benzamide

N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]benzamide (PubChem CID 40716159) has the molecular formula C18H18F2N2O4 and a molecular weight of 364.35 g/mol. Its IUPAC name is N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]benzamide
PubChem CID40716159
Molecular FormulaC18H18F2N2O4
Molecular Weight364.35 g/mol
Exact Mass364.12
IUPAC NameN-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]benzamide
SMILESCOc1cc(CNC(=O)CNC(=O)c2ccccc2)ccc1OC(F)F
InChIInChI=1S/C18H18F2N2O4/c1-25-15-9-12(7-8-14(15)26-18(19)20)10-21-16(23)11-22-17(24)13-5-3-2-4-6-13/h2-9,18H,10-11H2,1H3,(H,21,23)(H,22,24)
InChIKeyQYZZKGYNMDKAIG-UHFFFAOYSA-N
XLogP2.34
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 52.34
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-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-4-fluorobenzamide
CID 17480128
2-(difluoromethoxy)-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]benzamide
CID 9240904
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 26533075
N-[2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-2-oxoethyl]-2-iodobenzamide
CID 55656432
2-(4-bromophenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 9261428
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(3-methoxyphenyl)acetamide
CID 31424405
2-(cyclooctylamino)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 8558997
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-(difluoromethylsulfanyl)benzamide
CID 42119354
4-(difluoromethoxy)-N-[2-[[2-(dimethylamino)-4-pyridinyl]methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 55637064
N-[3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-oxopropyl]-2-methoxybenzamide
CID 31552261
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(methylsulfanylmethyl)benzamide
CID 9261943

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]benzamide (CID 40716159) is N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]benzamide is COc1cc(CNC(=O)CNC(=O)c2ccccc2)ccc1OC(F)F.
What is the InChIKey of N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]benzamide?
The InChIKey is QYZZKGYNMDKAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O4/c1-25-15-9-12(7-8-14(15)26-18(19)20)10-21-16(23)11-22-17(24)13-5-3-2-4-6-13/h2-9,18H,10-11H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]benzamide?
N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]benzamide has a molecular weight of 364.35 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 40716159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).