N-[3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-oxopropyl]-2-methoxybenzamide

C20H22F2N2O5 — CID 31552261

IUPACN-[3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-oxopropyl]-2-methoxybenzamide
SMILESCOc1cc(CNC(=O)CCNC(=O)c2ccccc2OC)ccc1OC(F)F
InChIInChI=1S/C20H22F2N2O5/c1-27-15-6-4-3-5-14(15)19(26)23-10-9-18(25)24-12-13-7-8-16(29-20(21)22)17(11-13)28-2/h3-8,11,20H,9-10,12H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyHIWPMSJMJZOGLN-UHFFFAOYSA-N
MW408.40 g/mol
LogP2.74
Rot. Bonds10

About N-[3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-oxopropyl]-2-methoxybenzamide

N-[3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-oxopropyl]-2-methoxybenzamide (PubChem CID 31552261) has the molecular formula C20H22F2N2O5 and a molecular weight of 408.40 g/mol. Its IUPAC name is N-[3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-oxopropyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-oxopropyl]-2-methoxybenzamide
PubChem CID31552261
Molecular FormulaC20H22F2N2O5
Molecular Weight408.40 g/mol
Exact Mass408.15
IUPAC NameN-[3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-oxopropyl]-2-methoxybenzamide
SMILESCOc1cc(CNC(=O)CCNC(=O)c2ccccc2OC)ccc1OC(F)F
InChIInChI=1S/C20H22F2N2O5/c1-27-15-6-4-3-5-14(15)19(26)23-10-9-18(25)24-12-13-7-8-16(29-20(21)22)17(11-13)28-2/h3-8,11,20H,9-10,12H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyHIWPMSJMJZOGLN-UHFFFAOYSA-N
XLogP2.74
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.40
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(difluoromethoxy)-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]benzamide
CID 9240904
N-[3-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 8528959
tert-butyl N-[3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-oxopropyl]carbamate
CID 9262125
4-(2-bromophenoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]butanamide
CID 55741890
2-bromo-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]benzamide
CID 17480805
N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]benzamide
CID 40716159
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2-methylbenzamide
CID 27883593
2-(4-bromophenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 9261428
N-[2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-2-oxoethyl]-2-iodobenzamide
CID 55656432
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2,3,4-trimethoxybenzamide
CID 9482367
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(3-methoxyphenyl)acetamide
CID 31424405
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 39123867

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-oxopropyl]-2-methoxybenzamide?
The IUPAC name of N-[3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-oxopropyl]-2-methoxybenzamide (CID 31552261) is N-[3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-oxopropyl]-2-methoxybenzamide.
What is the SMILES notation for N-[3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-oxopropyl]-2-methoxybenzamide?
The canonical SMILES for N-[3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-oxopropyl]-2-methoxybenzamide is COc1cc(CNC(=O)CCNC(=O)c2ccccc2OC)ccc1OC(F)F.
What is the InChIKey of N-[3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-oxopropyl]-2-methoxybenzamide?
The InChIKey is HIWPMSJMJZOGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O5/c1-27-15-6-4-3-5-14(15)19(26)23-10-9-18(25)24-12-13-7-8-16(29-20(21)22)17(11-13)28-2/h3-8,11,20H,9-10,12H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of N-[3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-oxopropyl]-2-methoxybenzamide?
N-[3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-oxopropyl]-2-methoxybenzamide has a molecular weight of 408.40 g/mol, XLogP of 2.74, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-oxopropyl]-2-methoxybenzamide is sourced from PubChem (CID 31552261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).