4-bromo-N-[3-[2-(methylamino)propylamino]-3-oxopropyl]benzamide

C14H20BrN3O2 — CID 120831395

IUPAC4-bromo-N-[3-[2-(methylamino)propylamino]-3-oxopropyl]benzamide
SMILESCNC(C)CNC(=O)CCNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H20BrN3O2/c1-10(16-2)9-18-13(19)7-8-17-14(20)11-3-5-12(15)6-4-11/h3-6,10,16H,7-9H2,1-2H3,(H,17,20)(H,18,19)
InChIKeySAOFHQFCAWUUPL-UHFFFAOYSA-N
MW342.24 g/mol
LogP1.29
Rot. Bonds7

About 4-bromo-N-[3-[2-(methylamino)propylamino]-3-oxopropyl]benzamide

4-bromo-N-[3-[2-(methylamino)propylamino]-3-oxopropyl]benzamide (PubChem CID 120831395) has the molecular formula C14H20BrN3O2 and a molecular weight of 342.24 g/mol. Its IUPAC name is 4-bromo-N-[3-[2-(methylamino)propylamino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-[2-(methylamino)propylamino]-3-oxopropyl]benzamide
PubChem CID120831395
Molecular FormulaC14H20BrN3O2
Molecular Weight342.24 g/mol
Exact Mass341.07
IUPAC Name4-bromo-N-[3-[2-(methylamino)propylamino]-3-oxopropyl]benzamide
SMILESCNC(C)CNC(=O)CCNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H20BrN3O2/c1-10(16-2)9-18-13(19)7-8-17-14(20)11-3-5-12(15)6-4-11/h3-6,10,16H,7-9H2,1-2H3,(H,17,20)(H,18,19)
InChIKeySAOFHQFCAWUUPL-UHFFFAOYSA-N
XLogP1.29
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[3-oxo-3-(2-phenylpropylamino)propyl]benzamide
CID 24636628
4-bromo-N-[3-[2-(methylamino)ethylamino]-3-oxopropyl]benzamide;hydrochloride
CID 119503431
propan-2-yl 3-[3-[(4-bromobenzoyl)amino]propanoylamino]propanoate
CID 51256412
3-(4-bromophenyl)sulfanyl-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120829429
4-bromo-N-[3-oxo-3-[2-(4-propan-2-ylphenyl)ethylamino]propyl]benzamide
CID 24683750
4-bromo-N-[3-[1-(2-methylphenyl)ethylamino]-3-oxopropyl]benzamide
CID 51149172
4-bromo-N-[3-oxo-3-[2-(4-phenylpiperazin-1-yl)propylamino]propyl]benzamide
CID 55694698
4-bromo-N-[3-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-3-oxopropyl]benzamide
CID 43003283
N-[3-(3-aminopropylamino)-3-oxopropyl]-4-bromobenzamide;hydrochloride
CID 119408124
4-bromo-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62657874
2-(4-bromophenoxy)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120829879
N-[2-(methylamino)propyl]-4-(sulfamoylmethyl)benzamide
CID 120828537

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-[2-(methylamino)propylamino]-3-oxopropyl]benzamide?
The IUPAC name of 4-bromo-N-[3-[2-(methylamino)propylamino]-3-oxopropyl]benzamide (CID 120831395) is 4-bromo-N-[3-[2-(methylamino)propylamino]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-[2-(methylamino)propylamino]-3-oxopropyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-[2-(methylamino)propylamino]-3-oxopropyl]benzamide is CNC(C)CNC(=O)CCNC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[3-[2-(methylamino)propylamino]-3-oxopropyl]benzamide?
The InChIKey is SAOFHQFCAWUUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O2/c1-10(16-2)9-18-13(19)7-8-17-14(20)11-3-5-12(15)6-4-11/h3-6,10,16H,7-9H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 4-bromo-N-[3-[2-(methylamino)propylamino]-3-oxopropyl]benzamide?
4-bromo-N-[3-[2-(methylamino)propylamino]-3-oxopropyl]benzamide has a molecular weight of 342.24 g/mol, XLogP of 1.29, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-[2-(methylamino)propylamino]-3-oxopropyl]benzamide is sourced from PubChem (CID 120831395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).