N-[2-[[3-[(4-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide

C25H24FN3O5 — CID 55947983

IUPACN-[2-[[3-[(4-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)cc1OC
InChIInChI=1S/C25H24FN3O5/c1-33-21-11-8-18(13-22(21)34-2)24(31)28-15-23(30)27-14-16-4-3-5-20(12-16)29-25(32)17-6-9-19(26)10-7-17/h3-13H,14-15H2,1-2H3,(H,27,30)(H,28,31)(H,29,32)
InChIKeyNCRQYEYCKBVCTP-UHFFFAOYSA-N
MW465.48 g/mol
LogP3.14
Rot. Bonds9

About N-[2-[[3-[(4-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide

N-[2-[[3-[(4-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide (PubChem CID 55947983) has the molecular formula C25H24FN3O5 and a molecular weight of 465.48 g/mol. Its IUPAC name is N-[2-[[3-[(4-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[[3-[(4-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
PubChem CID55947983
Molecular FormulaC25H24FN3O5
Molecular Weight465.48 g/mol
Exact Mass465.17
IUPAC NameN-[2-[[3-[(4-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)cc1OC
InChIInChI=1S/C25H24FN3O5/c1-33-21-11-8-18(13-22(21)34-2)24(31)28-15-23(30)27-14-16-4-3-5-20(12-16)29-25(32)17-6-9-19(26)10-7-17/h3-13H,14-15H2,1-2H3,(H,27,30)(H,28,31)(H,29,32)
InChIKeyNCRQYEYCKBVCTP-UHFFFAOYSA-N
XLogP3.14
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.48
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-[2-[[3-[(4-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethyl]benzamide
CID 55948110
N-[2-(3-ethylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 27256468
N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-4-fluorobenzamide
CID 17480128
N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]-3,4-dimethoxybenzamide
CID 108923849
N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 41365243
N-[(3-acetamidophenyl)methyl]-3-fluoro-4-methoxybenzamide
CID 39573373
4-fluoro-N-[3-[[(3-methoxy-4-methylphenyl)methylamino]methyl]phenyl]benzamide
CID 119050090
4-(difluoromethoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-3-methoxybenzamide
CID 9412323
N-benzyl-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide
CID 4798347
4-(difluoromethoxy)-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 31553535
3-fluoro-N-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]benzamide
CID 55894310

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-[(4-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-[[3-[(4-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide (CID 55947983) is N-[2-[[3-[(4-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-[[3-[(4-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-[[3-[(4-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCC(=O)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)cc1OC.
What is the InChIKey of N-[2-[[3-[(4-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide?
The InChIKey is NCRQYEYCKBVCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O5/c1-33-21-11-8-18(13-22(21)34-2)24(31)28-15-23(30)27-14-16-4-3-5-20(12-16)29-25(32)17-6-9-19(26)10-7-17/h3-13H,14-15H2,1-2H3,(H,27,30)(H,28,31)(H,29,32).
What are the key properties of N-[2-[[3-[(4-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide?
N-[2-[[3-[(4-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide has a molecular weight of 465.48 g/mol, XLogP of 3.14, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-[(4-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 55947983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).