N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide

C29H24FN3O4 — CID 55902095

IUPACN-[3-(2-anilino-2-oxoethoxy)phenyl]-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C29H24FN3O4/c1-19-14-15-20(16-26(19)33-29(36)24-12-5-6-13-25(24)30)28(35)32-22-10-7-11-23(17-22)37-18-27(34)31-21-8-3-2-4-9-21/h2-17H,18H2,1H3,(H,31,34)(H,32,35)(H,33,36)
InChIKeyMTZKFWOSJUDTGR-UHFFFAOYSA-N
MW497.53 g/mol
LogP5.66
Rot. Bonds8

About N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide

N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide (PubChem CID 55902095) has the molecular formula C29H24FN3O4 and a molecular weight of 497.53 g/mol. Its IUPAC name is N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide.

Molecular Properties

Compound NameN-[3-(2-anilino-2-oxoethoxy)phenyl]-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
PubChem CID55902095
Molecular FormulaC29H24FN3O4
Molecular Weight497.53 g/mol
Exact Mass497.18
IUPAC NameN-[3-(2-anilino-2-oxoethoxy)phenyl]-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C29H24FN3O4/c1-19-14-15-20(16-26(19)33-29(36)24-12-5-6-13-25(24)30)28(35)32-22-10-7-11-23(17-22)37-18-27(34)31-21-8-3-2-4-9-21/h2-17H,18H2,1H3,(H,31,34)(H,32,35)(H,33,36)
InChIKeyMTZKFWOSJUDTGR-UHFFFAOYSA-N
XLogP5.66
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.53
LogP ≤ 55.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 55992738
N-(4-ethoxyphenyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
CID 39707326
N-[3-[2-(2-methylanilino)-2-oxoethoxy]phenyl]benzamide
CID 18870161
ethyl 2-[3-[(2-fluorobenzoyl)amino]phenoxy]acetate
CID 39269783
3-benzamido-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 55630453
4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-phenylbenzamide
CID 17359274
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-methoxy-5-methylbenzamide
CID 55901703
N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 55902341
2-fluoro-N-[3-[(Z)-C-methyl-N-[(2-phenoxyacetyl)amino]carbonimidoyl]phenyl]benzamide
CID 6015269
N-[3-[2-oxo-2-(4-phenoxyanilino)ethoxy]phenyl]benzamide
CID 18870214
3-[(2-fluorobenzoyl)amino]-N-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-4-methylbenzamide
CID 172670156
2-fluoro-N-[[3-[(2-phenoxyacetyl)amino]phenyl]carbamothioyl]benzamide
CID 17231666

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide?
The IUPAC name of N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide (CID 55902095) is N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide.
What is the SMILES notation for N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide?
The canonical SMILES for N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide is Cc1ccc(C(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)cc1NC(=O)c1ccccc1F.
What is the InChIKey of N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide?
The InChIKey is MTZKFWOSJUDTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24FN3O4/c1-19-14-15-20(16-26(19)33-29(36)24-12-5-6-13-25(24)30)28(35)32-22-10-7-11-23(17-22)37-18-27(34)31-21-8-3-2-4-9-21/h2-17H,18H2,1H3,(H,31,34)(H,32,35)(H,33,36).
What are the key properties of N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide?
N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide has a molecular weight of 497.53 g/mol, XLogP of 5.66, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide is sourced from PubChem (CID 55902095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).