4-(acetamidomethyl)-N-[1-(2-bromophenyl)ethyl]-N-propylbenzamide

C21H25BrN2O2 — CID 55750869

IUPAC4-(acetamidomethyl)-N-[1-(2-bromophenyl)ethyl]-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(CNC(C)=O)cc1)C(C)c1ccccc1Br
InChIInChI=1S/C21H25BrN2O2/c1-4-13-24(15(2)19-7-5-6-8-20(19)22)21(26)18-11-9-17(10-12-18)14-23-16(3)25/h5-12,15H,4,13-14H2,1-3H3,(H,23,25)
InChIKeyTVBUGLUYMIPSNK-UHFFFAOYSA-N
MW417.35 g/mol
LogP4.70
Rot. Bonds7

About 4-(acetamidomethyl)-N-[1-(2-bromophenyl)ethyl]-N-propylbenzamide

4-(acetamidomethyl)-N-[1-(2-bromophenyl)ethyl]-N-propylbenzamide (PubChem CID 55750869) has the molecular formula C21H25BrN2O2 and a molecular weight of 417.35 g/mol. Its IUPAC name is 4-(acetamidomethyl)-N-[1-(2-bromophenyl)ethyl]-N-propylbenzamide.

Molecular Properties

Compound Name4-(acetamidomethyl)-N-[1-(2-bromophenyl)ethyl]-N-propylbenzamide
PubChem CID55750869
Molecular FormulaC21H25BrN2O2
Molecular Weight417.35 g/mol
Exact Mass416.11
IUPAC Name4-(acetamidomethyl)-N-[1-(2-bromophenyl)ethyl]-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(CNC(C)=O)cc1)C(C)c1ccccc1Br
InChIInChI=1S/C21H25BrN2O2/c1-4-13-24(15(2)19-7-5-6-8-20(19)22)21(26)18-11-9-17(10-12-18)14-23-16(3)25/h5-12,15H,4,13-14H2,1-3H3,(H,23,25)
InChIKeyTVBUGLUYMIPSNK-UHFFFAOYSA-N
XLogP4.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.35
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-bromophenyl)ethyl]-N-propylacetamide
CID 60778873
N-[(1R)-1-(2-bromophenyl)ethyl]-6-methyl-N-propylpyridine-3-carboxamide
CID 52633198
N-[1-(2-bromophenyl)ethyl]-N-propyl-1H-pyrazole-4-carboxamide
CID 60958671
N-[(1S)-1-(2-bromophenyl)ethyl]-2-chloro-N-propyl-1,3-thiazole-4-carboxamide
CID 124735535
2-bromo-N-[1-(2-bromophenyl)ethyl]-2-methyl-N-propylpropanamide
CID 114328209
2-[1-(2-bromophenyl)ethyl-propylamino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 60505775
methyl 2-[3-[1-(2-bromophenyl)ethyl-propylcarbamoyl]phenoxy]acetate
CID 55880435
N-[1-(2-bromophenyl)ethyl]-2-methyl-2-(methylamino)-N-propylpropanamide
CID 62845983
N-[1-(2-bromophenyl)ethyl]-2-(cyclopropylmethylamino)-N-propylacetamide
CID 60946925
2-amino-N-[1-(2-bromophenyl)ethyl]-N-propylcyclopropane-1-carboxamide
CID 55035536
2-[1-(2-bromophenyl)ethyl-propylamino]-N-ethylacetamide
CID 60505772
2-(azetidin-3-ylidene)-N-[1-(2-bromophenyl)ethyl]-N-propylpropanamide
CID 116676511

Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)-N-[1-(2-bromophenyl)ethyl]-N-propylbenzamide?
The IUPAC name of 4-(acetamidomethyl)-N-[1-(2-bromophenyl)ethyl]-N-propylbenzamide (CID 55750869) is 4-(acetamidomethyl)-N-[1-(2-bromophenyl)ethyl]-N-propylbenzamide.
What is the SMILES notation for 4-(acetamidomethyl)-N-[1-(2-bromophenyl)ethyl]-N-propylbenzamide?
The canonical SMILES for 4-(acetamidomethyl)-N-[1-(2-bromophenyl)ethyl]-N-propylbenzamide is CCCN(C(=O)c1ccc(CNC(C)=O)cc1)C(C)c1ccccc1Br.
What is the InChIKey of 4-(acetamidomethyl)-N-[1-(2-bromophenyl)ethyl]-N-propylbenzamide?
The InChIKey is TVBUGLUYMIPSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2O2/c1-4-13-24(15(2)19-7-5-6-8-20(19)22)21(26)18-11-9-17(10-12-18)14-23-16(3)25/h5-12,15H,4,13-14H2,1-3H3,(H,23,25).
What are the key properties of 4-(acetamidomethyl)-N-[1-(2-bromophenyl)ethyl]-N-propylbenzamide?
4-(acetamidomethyl)-N-[1-(2-bromophenyl)ethyl]-N-propylbenzamide has a molecular weight of 417.35 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)-N-[1-(2-bromophenyl)ethyl]-N-propylbenzamide is sourced from PubChem (CID 55750869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).