4-(acetamidomethyl)-N-(3-bromophenyl)-N-[2-(diethylamino)ethyl]benzamide

C22H28BrN3O2 — CID 55985619

IUPAC4-(acetamidomethyl)-N-(3-bromophenyl)-N-[2-(diethylamino)ethyl]benzamide
SMILESCCN(CC)CCN(C(=O)c1ccc(CNC(C)=O)cc1)c1cccc(Br)c1
InChIInChI=1S/C22H28BrN3O2/c1-4-25(5-2)13-14-26(21-8-6-7-20(23)15-21)22(28)19-11-9-18(10-12-19)16-24-17(3)27/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,24,27)
InChIKeyBBZDSBGLYFBYKX-UHFFFAOYSA-N
MW446.39 g/mol
LogP4.07
Rot. Bonds9

About 4-(acetamidomethyl)-N-(3-bromophenyl)-N-[2-(diethylamino)ethyl]benzamide

4-(acetamidomethyl)-N-(3-bromophenyl)-N-[2-(diethylamino)ethyl]benzamide (PubChem CID 55985619) has the molecular formula C22H28BrN3O2 and a molecular weight of 446.39 g/mol. Its IUPAC name is 4-(acetamidomethyl)-N-(3-bromophenyl)-N-[2-(diethylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-(acetamidomethyl)-N-(3-bromophenyl)-N-[2-(diethylamino)ethyl]benzamide
PubChem CID55985619
Molecular FormulaC22H28BrN3O2
Molecular Weight446.39 g/mol
Exact Mass445.14
IUPAC Name4-(acetamidomethyl)-N-(3-bromophenyl)-N-[2-(diethylamino)ethyl]benzamide
SMILESCCN(CC)CCN(C(=O)c1ccc(CNC(C)=O)cc1)c1cccc(Br)c1
InChIInChI=1S/C22H28BrN3O2/c1-4-25(5-2)13-14-26(21-8-6-7-20(23)15-21)22(28)19-11-9-18(10-12-19)16-24-17(3)27/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,24,27)
InChIKeyBBZDSBGLYFBYKX-UHFFFAOYSA-N
XLogP4.07
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.39
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-N-[2-(diethylamino)ethyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 55985618
N-(3-bromophenyl)-N-[2-(diethylamino)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 55984984
2-(N-acetyl-3-bromoanilino)-N-benzylacetamide
CID 113177894
N-(3-bromophenyl)-N-propylacetamide
CID 67272874
4-(acetamidomethyl)-N-[1-(3-bromophenyl)ethyl]benzamide
CID 46582184
3-[(4-bromophenyl)methyl]-1-ethyl-1-(3-methylphenyl)urea
CID 108899566
N-[4-[3-bromo-N-[2-(diethylamino)ethyl]anilino]-4-oxobutyl]thiophene-2-carboxamide
CID 55984089
3-bromo-N-[2-(diethylamino)ethyl]benzamide;hydrochloride
CID 2941785
2-methoxyethyl 5-[(3-bromophenyl)-[2-(diethylamino)ethyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 55984345
4-(acetamidomethyl)-N-[[4-(diethylcarbamoyl)phenyl]methyl]benzamide
CID 39020952
3-bromo-N-butyl-N-phenylbenzamide
CID 17256559
N-[[3-[[ethyl(propyl)amino]methyl]phenyl]methyl]acetamide
CID 143915548

Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)-N-(3-bromophenyl)-N-[2-(diethylamino)ethyl]benzamide?
The IUPAC name of 4-(acetamidomethyl)-N-(3-bromophenyl)-N-[2-(diethylamino)ethyl]benzamide (CID 55985619) is 4-(acetamidomethyl)-N-(3-bromophenyl)-N-[2-(diethylamino)ethyl]benzamide.
What is the SMILES notation for 4-(acetamidomethyl)-N-(3-bromophenyl)-N-[2-(diethylamino)ethyl]benzamide?
The canonical SMILES for 4-(acetamidomethyl)-N-(3-bromophenyl)-N-[2-(diethylamino)ethyl]benzamide is CCN(CC)CCN(C(=O)c1ccc(CNC(C)=O)cc1)c1cccc(Br)c1.
What is the InChIKey of 4-(acetamidomethyl)-N-(3-bromophenyl)-N-[2-(diethylamino)ethyl]benzamide?
The InChIKey is BBZDSBGLYFBYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28BrN3O2/c1-4-25(5-2)13-14-26(21-8-6-7-20(23)15-21)22(28)19-11-9-18(10-12-19)16-24-17(3)27/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,24,27).
What are the key properties of 4-(acetamidomethyl)-N-(3-bromophenyl)-N-[2-(diethylamino)ethyl]benzamide?
4-(acetamidomethyl)-N-(3-bromophenyl)-N-[2-(diethylamino)ethyl]benzamide has a molecular weight of 446.39 g/mol, XLogP of 4.07, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)-N-(3-bromophenyl)-N-[2-(diethylamino)ethyl]benzamide is sourced from PubChem (CID 55985619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).