2-[[2-(2-bromophenyl)-2-oxoethyl]-propylamino]-N-methylacetamide

C14H19BrN2O2 — CID 62035769

IUPAC2-[[2-(2-bromophenyl)-2-oxoethyl]-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)CC(=O)c1ccccc1Br
InChIInChI=1S/C14H19BrN2O2/c1-3-8-17(10-14(19)16-2)9-13(18)11-6-4-5-7-12(11)15/h4-7H,3,8-10H2,1-2H3,(H,16,19)
InChIKeyAHKZVEHHAITZCX-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.09
Rot. Bonds7

About 2-[[2-(2-bromophenyl)-2-oxoethyl]-propylamino]-N-methylacetamide

2-[[2-(2-bromophenyl)-2-oxoethyl]-propylamino]-N-methylacetamide (PubChem CID 62035769) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 2-[[2-(2-bromophenyl)-2-oxoethyl]-propylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-(2-bromophenyl)-2-oxoethyl]-propylamino]-N-methylacetamide
PubChem CID62035769
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name2-[[2-(2-bromophenyl)-2-oxoethyl]-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)CC(=O)c1ccccc1Br
InChIInChI=1S/C14H19BrN2O2/c1-3-8-17(10-14(19)16-2)9-13(18)11-6-4-5-7-12(11)15/h4-7H,3,8-10H2,1-2H3,(H,16,19)
InChIKeyAHKZVEHHAITZCX-UHFFFAOYSA-N
XLogP2.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[[2-(2-methylphenyl)-2-oxoethyl]-propylamino]acetamide
CID 62036541
2-[(3-bromo-2-hydroxyphenyl)methyl-propylamino]-N-methylacetamide
CID 82986387
1-(2-bromophenyl)-2-[3-(diethylamino)propyl-ethylamino]ethanone
CID 102995150
1-(2-bromophenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethanone
CID 79390464
1-(2-bromophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanone
CID 63954800
methyl 2-[[2-(2-bromoanilino)-2-oxoethyl]-propylamino]acetate
CID 61036321
2-bromo-1-(2-bromophenyl)ethanone
CID 2737522
2-[(2-cyanophenyl)methyl-propylamino]-N-methylacetamide
CID 54978738
2-bromo-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 18106416
2-[(2-bromobenzoyl)-propylamino]acetic acid
CID 61011660
2-fluoro-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
CID 61046623
1-(2-bromophenyl)-2-[2-ethoxyethyl(methyl)amino]ethanone
CID 81057820

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-bromophenyl)-2-oxoethyl]-propylamino]-N-methylacetamide?
The IUPAC name of 2-[[2-(2-bromophenyl)-2-oxoethyl]-propylamino]-N-methylacetamide (CID 62035769) is 2-[[2-(2-bromophenyl)-2-oxoethyl]-propylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[2-(2-bromophenyl)-2-oxoethyl]-propylamino]-N-methylacetamide?
The canonical SMILES for 2-[[2-(2-bromophenyl)-2-oxoethyl]-propylamino]-N-methylacetamide is CCCN(CC(=O)NC)CC(=O)c1ccccc1Br.
What is the InChIKey of 2-[[2-(2-bromophenyl)-2-oxoethyl]-propylamino]-N-methylacetamide?
The InChIKey is AHKZVEHHAITZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-3-8-17(10-14(19)16-2)9-13(18)11-6-4-5-7-12(11)15/h4-7H,3,8-10H2,1-2H3,(H,16,19).
What are the key properties of 2-[[2-(2-bromophenyl)-2-oxoethyl]-propylamino]-N-methylacetamide?
2-[[2-(2-bromophenyl)-2-oxoethyl]-propylamino]-N-methylacetamide has a molecular weight of 327.22 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-bromophenyl)-2-oxoethyl]-propylamino]-N-methylacetamide is sourced from PubChem (CID 62035769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).