2,4-difluoro-N-[4-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-4-oxobutyl]benzamide

C23H27F2N3O3 — CID 38692816

IUPAC2,4-difluoro-N-[4-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-4-oxobutyl]benzamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)CCCNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C23H27F2N3O3/c1-3-13-28(15-21(29)27-20-8-5-4-7-16(20)2)22(30)9-6-12-26-23(31)18-11-10-17(24)14-19(18)25/h4-5,7-8,10-11,14H,3,6,9,12-13,15H2,1-2H3,(H,26,31)(H,27,29)
InChIKeyCLGFJTNZJUANBF-UHFFFAOYSA-N
MW431.48 g/mol
LogP3.66
Rot. Bonds10

About 2,4-difluoro-N-[4-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-4-oxobutyl]benzamide

2,4-difluoro-N-[4-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-4-oxobutyl]benzamide (PubChem CID 38692816) has the molecular formula C23H27F2N3O3 and a molecular weight of 431.48 g/mol. Its IUPAC name is 2,4-difluoro-N-[4-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-4-oxobutyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[4-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-4-oxobutyl]benzamide
PubChem CID38692816
Molecular FormulaC23H27F2N3O3
Molecular Weight431.48 g/mol
Exact Mass431.20
IUPAC Name2,4-difluoro-N-[4-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-4-oxobutyl]benzamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)CCCNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C23H27F2N3O3/c1-3-13-28(15-21(29)27-20-8-5-4-7-16(20)2)22(30)9-6-12-26-23(31)18-11-10-17(24)14-19(18)25/h4-5,7-8,10-11,14H,3,6,9,12-13,15H2,1-2H3,(H,26,31)(H,27,29)
InChIKeyCLGFJTNZJUANBF-UHFFFAOYSA-N
XLogP3.66
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.48
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,4-difluoro-N-[4-(4-fluoro-2-methylanilino)-4-oxobutyl]benzamide
CID 30492931
N-[3-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-3-oxopropyl]benzamide
CID 38676277
N-[4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-4-oxobutyl]-2,4-difluorobenzamide
CID 24681937
N-[4-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-4-oxobutyl]-4-fluorobenzamide
CID 60572761
1-(2,4-difluorobenzoyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide
CID 38692821
2,4-dichloro-5-fluoro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide
CID 55388510
7-fluoro-2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylquinoline-3-carboxamide
CID 31978902
2-[[2-(4-fluorophenoxy)acetyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 38680702
2,4-difluoro-N-[4-[2-hydroxyethyl(methyl)amino]-4-oxobutyl]benzamide
CID 110886148
2,4-difluoro-N-[3-(2-hydroxyanilino)-3-oxopropyl]benzamide
CID 51314532
N-[3-[[2-(2,3-dimethylanilino)-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]amino]-3-oxopropyl]-2,4-difluorobenzamide
CID 51931567
2-[(2,5-difluorophenyl)sulfonyl-propylamino]-N-(2-methylphenyl)acetamide
CID 40746083

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[4-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-4-oxobutyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[4-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-4-oxobutyl]benzamide (CID 38692816) is 2,4-difluoro-N-[4-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-4-oxobutyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[4-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-4-oxobutyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[4-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-4-oxobutyl]benzamide is CCCN(CC(=O)Nc1ccccc1C)C(=O)CCCNC(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[4-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-4-oxobutyl]benzamide?
The InChIKey is CLGFJTNZJUANBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2N3O3/c1-3-13-28(15-21(29)27-20-8-5-4-7-16(20)2)22(30)9-6-12-26-23(31)18-11-10-17(24)14-19(18)25/h4-5,7-8,10-11,14H,3,6,9,12-13,15H2,1-2H3,(H,26,31)(H,27,29).
What are the key properties of 2,4-difluoro-N-[4-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-4-oxobutyl]benzamide?
2,4-difluoro-N-[4-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-4-oxobutyl]benzamide has a molecular weight of 431.48 g/mol, XLogP of 3.66, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[4-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-4-oxobutyl]benzamide is sourced from PubChem (CID 38692816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).