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

C18H17F3N2O4 — CID 17480128

IUPACN-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-4-fluorobenzamide
SMILESCOc1cc(CNC(=O)CNC(=O)c2ccc(F)cc2)ccc1OC(F)F
InChIInChI=1S/C18H17F3N2O4/c1-26-15-8-11(2-7-14(15)27-18(20)21)9-22-16(24)10-23-17(25)12-3-5-13(19)6-4-12/h2-8,18H,9-10H2,1H3,(H,22,24)(H,23,25)
InChIKeyARYNKCZIHHTEOP-UHFFFAOYSA-N
MW382.34 g/mol
LogP2.48
Rot. Bonds8

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

N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-4-fluorobenzamide (PubChem CID 17480128) has the molecular formula C18H17F3N2O4 and a molecular weight of 382.34 g/mol. Its IUPAC name is N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-4-fluorobenzamide
PubChem CID17480128
Molecular FormulaC18H17F3N2O4
Molecular Weight382.34 g/mol
Exact Mass382.11
IUPAC NameN-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-4-fluorobenzamide
SMILESCOc1cc(CNC(=O)CNC(=O)c2ccc(F)cc2)ccc1OC(F)F
InChIInChI=1S/C18H17F3N2O4/c1-26-15-8-11(2-7-14(15)27-18(20)21)9-22-16(24)10-23-17(25)12-3-5-13(19)6-4-12/h2-8,18H,9-10H2,1H3,(H,22,24)(H,23,25)
InChIKeyARYNKCZIHHTEOP-UHFFFAOYSA-N
XLogP2.48
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-4-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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]benzamide
CID 40716159
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 26533075
2-(difluoromethoxy)-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]benzamide
CID 9240904
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9134121
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
4-(difluoromethoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethoxybenzamide
CID 9261772
2-(4-bromophenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 9261428
2-(cyclooctylamino)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 8558997
[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]azanium
CID 9134120
N-[2-[[3-[(4-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 55947983

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-4-fluorobenzamide (CID 17480128) is N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-4-fluorobenzamide is COc1cc(CNC(=O)CNC(=O)c2ccc(F)cc2)ccc1OC(F)F.
What is the InChIKey of N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-4-fluorobenzamide?
The InChIKey is ARYNKCZIHHTEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O4/c1-26-15-8-11(2-7-14(15)27-18(20)21)9-22-16(24)10-23-17(25)12-3-5-13(19)6-4-12/h2-8,18H,9-10H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-4-fluorobenzamide?
N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-4-fluorobenzamide has a molecular weight of 382.34 g/mol, XLogP of 2.48, 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]-4-fluorobenzamide is sourced from PubChem (CID 17480128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).