4-[[[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-cyclopropylamino]methyl]benzamide

C21H24BrN3O2 — CID 43054825

IUPAC4-[[[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-cyclopropylamino]methyl]benzamide
SMILESCC(NC(=O)CN(Cc1ccc(C(N)=O)cc1)C1CC1)c1ccc(Br)cc1
InChIInChI=1S/C21H24BrN3O2/c1-14(16-6-8-18(22)9-7-16)24-20(26)13-25(19-10-11-19)12-15-2-4-17(5-3-15)21(23)27/h2-9,14,19H,10-13H2,1H3,(H2,23,27)(H,24,26)
InChIKeyYGDNQHHBKYWFPB-UHFFFAOYSA-N
MW430.35 g/mol
LogP3.39
Rot. Bonds8

About 4-[[[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-cyclopropylamino]methyl]benzamide

4-[[[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-cyclopropylamino]methyl]benzamide (PubChem CID 43054825) has the molecular formula C21H24BrN3O2 and a molecular weight of 430.35 g/mol. Its IUPAC name is 4-[[[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-cyclopropylamino]methyl]benzamide.

Molecular Properties

Compound Name4-[[[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-cyclopropylamino]methyl]benzamide
PubChem CID43054825
Molecular FormulaC21H24BrN3O2
Molecular Weight430.35 g/mol
Exact Mass429.11
IUPAC Name4-[[[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-cyclopropylamino]methyl]benzamide
SMILESCC(NC(=O)CN(Cc1ccc(C(N)=O)cc1)C1CC1)c1ccc(Br)cc1
InChIInChI=1S/C21H24BrN3O2/c1-14(16-6-8-18(22)9-7-16)24-20(26)13-25(19-10-11-19)12-15-2-4-17(5-3-15)21(23)27/h2-9,14,19H,10-13H2,1H3,(H2,23,27)(H,24,26)
InChIKeyYGDNQHHBKYWFPB-UHFFFAOYSA-N
XLogP3.39
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.35
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 8916279
4-[[cyclopropyl-[2-(2,6-dichloroanilino)-2-oxoethyl]amino]methyl]benzamide
CID 35266299
N-[1-(3-chlorophenyl)ethyl]-2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetamide
CID 18088736
2-[(4-bromophenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide
CID 4876507
2-[(4-chlorophenyl)methyl-cyclopropylamino]-N-(3-methylbutan-2-yl)acetamide
CID 60502680
3-[(4-carbamoylphenyl)methyl-cyclopropylamino]propanoic acid
CID 60840216
3-[[2-[(4-carbamoylphenyl)methyl-cyclopropylamino]acetyl]amino]-N-methylbenzamide
CID 46568152
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(1-phenylethyl)acetamide
CID 18088884
4-[[cyclopropyl-[2-(2,5-difluoroanilino)-2-oxoethyl]amino]methyl]benzamide
CID 46568070
N-[1-(4-bromophenyl)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 60683956
4-[[cyclopropyl-[(1S)-1-cyclopropylethyl]amino]methyl]benzamide
CID 36965111
4-[[(4-aminocyclohexyl)-ethylamino]methyl]benzamide
CID 79115625

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-cyclopropylamino]methyl]benzamide?
The IUPAC name of 4-[[[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-cyclopropylamino]methyl]benzamide (CID 43054825) is 4-[[[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-cyclopropylamino]methyl]benzamide.
What is the SMILES notation for 4-[[[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-cyclopropylamino]methyl]benzamide?
The canonical SMILES for 4-[[[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-cyclopropylamino]methyl]benzamide is CC(NC(=O)CN(Cc1ccc(C(N)=O)cc1)C1CC1)c1ccc(Br)cc1.
What is the InChIKey of 4-[[[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-cyclopropylamino]methyl]benzamide?
The InChIKey is YGDNQHHBKYWFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrN3O2/c1-14(16-6-8-18(22)9-7-16)24-20(26)13-25(19-10-11-19)12-15-2-4-17(5-3-15)21(23)27/h2-9,14,19H,10-13H2,1H3,(H2,23,27)(H,24,26).
What are the key properties of 4-[[[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-cyclopropylamino]methyl]benzamide?
4-[[[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-cyclopropylamino]methyl]benzamide has a molecular weight of 430.35 g/mol, XLogP of 3.39, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-cyclopropylamino]methyl]benzamide is sourced from PubChem (CID 43054825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).