N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]-2,4-difluorobenzamide

C21H25F2N3O2 — CID 29478462

IUPACN-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]-2,4-difluorobenzamide
SMILESCN(CCCNC(=O)CCNC(=O)c1ccc(F)cc1F)Cc1ccccc1
InChIInChI=1S/C21H25F2N3O2/c1-26(15-16-6-3-2-4-7-16)13-5-11-24-20(27)10-12-25-21(28)18-9-8-17(22)14-19(18)23/h2-4,6-9,14H,5,10-13,15H2,1H3,(H,24,27)(H,25,28)
InChIKeyJSHUTJMTSZKVML-UHFFFAOYSA-N
MW389.45 g/mol
LogP2.72
Rot. Bonds10

About N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]-2,4-difluorobenzamide

N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]-2,4-difluorobenzamide (PubChem CID 29478462) has the molecular formula C21H25F2N3O2 and a molecular weight of 389.45 g/mol. Its IUPAC name is N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]-2,4-difluorobenzamide
PubChem CID29478462
Molecular FormulaC21H25F2N3O2
Molecular Weight389.45 g/mol
Exact Mass389.19
IUPAC NameN-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]-2,4-difluorobenzamide
SMILESCN(CCCNC(=O)CCNC(=O)c1ccc(F)cc1F)Cc1ccccc1
InChIInChI=1S/C21H25F2N3O2/c1-26(15-16-6-3-2-4-7-16)13-5-11-24-20(27)10-12-25-21(28)18-9-8-17(22)14-19(18)23/h2-4,6-9,14H,5,10-13,15H2,1H3,(H,24,27)(H,25,28)
InChIKeyJSHUTJMTSZKVML-UHFFFAOYSA-N
XLogP2.72
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 52.72
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

N-[3-[benzyl(methyl)amino]propyl]-2-fluorobenzamide
CID 110444087
N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]benzamide
CID 41306011
N-[4-(benzylamino)-4-oxobutyl]-2,4-difluorobenzamide
CID 29414441
3-[4-[(2,4-difluorobenzoyl)amino]butanoylamino]propanoic acid
CID 119176967
N-[3-[3-[(dimethylamino)methyl]anilino]-3-oxopropyl]-2,4-difluorobenzamide
CID 86932094
2,4-difluoro-N-[3-oxo-3-(2-phenoxyethylamino)propyl]benzamide
CID 18168568
2,4-difluoro-N-[3-oxo-3-(2-phenylsulfanylethylamino)propyl]benzamide
CID 42103921
2,4-difluoro-N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide
CID 51192745
N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 18272017
N-[3-[benzyl(cyanomethyl)amino]-3-oxopropyl]-2,4-difluorobenzamide
CID 55864480
2,4-difluoro-N-[4-[(3-fluorophenyl)methylamino]-4-oxobutyl]benzamide
CID 46424834
2,4-difluoro-N-[4-[2-hydroxyethyl(methyl)amino]-4-oxobutyl]benzamide
CID 110886148

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]-2,4-difluorobenzamide?
The IUPAC name of N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]-2,4-difluorobenzamide (CID 29478462) is N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]-2,4-difluorobenzamide is CN(CCCNC(=O)CCNC(=O)c1ccc(F)cc1F)Cc1ccccc1.
What is the InChIKey of N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]-2,4-difluorobenzamide?
The InChIKey is JSHUTJMTSZKVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N3O2/c1-26(15-16-6-3-2-4-7-16)13-5-11-24-20(27)10-12-25-21(28)18-9-8-17(22)14-19(18)23/h2-4,6-9,14H,5,10-13,15H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]-2,4-difluorobenzamide?
N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]-2,4-difluorobenzamide has a molecular weight of 389.45 g/mol, XLogP of 2.72, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]-2,4-difluorobenzamide is sourced from PubChem (CID 29478462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).