4-bromo-N-[3-[1-(2-methylphenyl)ethylamino]-3-oxopropyl]benzamide

C19H21BrN2O2 — CID 51149172

IUPAC4-bromo-N-[3-[1-(2-methylphenyl)ethylamino]-3-oxopropyl]benzamide
SMILESCc1ccccc1C(C)NC(=O)CCNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C19H21BrN2O2/c1-13-5-3-4-6-17(13)14(2)22-18(23)11-12-21-19(24)15-7-9-16(20)10-8-15/h3-10,14H,11-12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyKRYCGUIFSIZJFL-UHFFFAOYSA-N
MW389.29 g/mol
LogP3.75
Rot. Bonds6

About 4-bromo-N-[3-[1-(2-methylphenyl)ethylamino]-3-oxopropyl]benzamide

4-bromo-N-[3-[1-(2-methylphenyl)ethylamino]-3-oxopropyl]benzamide (PubChem CID 51149172) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is 4-bromo-N-[3-[1-(2-methylphenyl)ethylamino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-[1-(2-methylphenyl)ethylamino]-3-oxopropyl]benzamide
PubChem CID51149172
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC Name4-bromo-N-[3-[1-(2-methylphenyl)ethylamino]-3-oxopropyl]benzamide
SMILESCc1ccccc1C(C)NC(=O)CCNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C19H21BrN2O2/c1-13-5-3-4-6-17(13)14(2)22-18(23)11-12-21-19(24)15-7-9-16(20)10-8-15/h3-10,14H,11-12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyKRYCGUIFSIZJFL-UHFFFAOYSA-N
XLogP3.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 9481980
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CID 42910539
3-amino-N-[(1S)-1-(2-methylphenyl)ethyl]propanamide
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4-bromo-N-[3-[2-(methylamino)propylamino]-3-oxopropyl]benzamide
CID 120831395
2-bromo-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide
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4-bromo-N-[3-oxo-3-(2-phenylpropylamino)propyl]benzamide
CID 24636628
3-[(4-bromophenyl)carbamoylamino]-N-[1-(2,5-dimethylphenyl)ethyl]propanamide
CID 55773882
[(2R)-2-[3-[(4-bromobenzoyl)amino]propanoylamino]-2-phenylethyl]-dimethylazanium
CID 8937316
4-bromo-N-[3-[[(1R)-2-(dimethylamino)-1-phenylethyl]amino]-3-oxopropyl]benzamide
CID 8937317
5-bromo-2-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
CID 65311896
5-hydroxy-N-[(1R)-1-(2-methylphenyl)ethyl]pentanamide
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4-bromo-N-[1-(2-bromophenyl)ethyl]benzamide
CID 55027225

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-[1-(2-methylphenyl)ethylamino]-3-oxopropyl]benzamide?
The IUPAC name of 4-bromo-N-[3-[1-(2-methylphenyl)ethylamino]-3-oxopropyl]benzamide (CID 51149172) is 4-bromo-N-[3-[1-(2-methylphenyl)ethylamino]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-[1-(2-methylphenyl)ethylamino]-3-oxopropyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-[1-(2-methylphenyl)ethylamino]-3-oxopropyl]benzamide is Cc1ccccc1C(C)NC(=O)CCNC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[3-[1-(2-methylphenyl)ethylamino]-3-oxopropyl]benzamide?
The InChIKey is KRYCGUIFSIZJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-13-5-3-4-6-17(13)14(2)22-18(23)11-12-21-19(24)15-7-9-16(20)10-8-15/h3-10,14H,11-12H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 4-bromo-N-[3-[1-(2-methylphenyl)ethylamino]-3-oxopropyl]benzamide?
4-bromo-N-[3-[1-(2-methylphenyl)ethylamino]-3-oxopropyl]benzamide has a molecular weight of 389.29 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-[1-(2-methylphenyl)ethylamino]-3-oxopropyl]benzamide is sourced from PubChem (CID 51149172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).