3-bromo-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-methylbenzamide

C21H26BrN3O2 — CID 17229756

IUPAC3-bromo-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-methylbenzamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)c2ccc(C)c(Br)c2)cc1
InChIInChI=1S/C21H26BrN3O2/c1-4-25(5-2)13-12-23-20(26)16-8-10-18(11-9-16)24-21(27)17-7-6-15(3)19(22)14-17/h6-11,14H,4-5,12-13H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyNPWFUVPVXLZMEY-UHFFFAOYSA-N
MW432.36 g/mol
LogP4.08
Rot. Bonds8

About 3-bromo-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-methylbenzamide

3-bromo-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-methylbenzamide (PubChem CID 17229756) has the molecular formula C21H26BrN3O2 and a molecular weight of 432.36 g/mol. Its IUPAC name is 3-bromo-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-methylbenzamide
PubChem CID17229756
Molecular FormulaC21H26BrN3O2
Molecular Weight432.36 g/mol
Exact Mass431.12
IUPAC Name3-bromo-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-methylbenzamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)c2ccc(C)c(Br)c2)cc1
InChIInChI=1S/C21H26BrN3O2/c1-4-25(5-2)13-12-23-20(26)16-8-10-18(11-9-16)24-21(27)17-7-6-15(3)19(22)14-17/h6-11,14H,4-5,12-13H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyNPWFUVPVXLZMEY-UHFFFAOYSA-N
XLogP4.08
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.36
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-phenylbenzamide
CID 17229715
N-[2-(diethylamino)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 4677770
3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide
CID 81471558
3-bromo-N-[[4-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamothioyl]-4-methoxybenzamide
CID 17230007
4-acetamido-N-[2-(diethylamino)ethyl]benzamide;hydron;chloride
CID 67108272
N-[2-(diethylamino)ethyl]-4-[[2-(3,4-dimethylphenyl)acetyl]amino]benzamide
CID 4793474
N-[2-(diethylamino)ethyl]-4-[[4-(2-methoxyethoxy)benzoyl]amino]benzamide
CID 17229819
3-bromo-4-methyl-N-(4-propylphenyl)benzamide
CID 81472098
4-[(5-bromothiophen-3-yl)carbamoylamino]-N-[2-(diethylamino)ethyl]benzamide
CID 91327378
N-[2-(diethylamino)ethyl]-4-[[2-(2-methylphenyl)acetyl]amino]benzamide
CID 26163528
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-heptylbenzamide
CID 143018159
N-[2-(diethylamino)ethyl]-4-[(4-fluoro-3-methylphenyl)carbamothioylamino]benzamide
CID 53488605

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-methylbenzamide?
The IUPAC name of 3-bromo-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-methylbenzamide (CID 17229756) is 3-bromo-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-methylbenzamide.
What is the SMILES notation for 3-bromo-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-methylbenzamide?
The canonical SMILES for 3-bromo-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-methylbenzamide is CCN(CC)CCNC(=O)c1ccc(NC(=O)c2ccc(C)c(Br)c2)cc1.
What is the InChIKey of 3-bromo-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-methylbenzamide?
The InChIKey is NPWFUVPVXLZMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26BrN3O2/c1-4-25(5-2)13-12-23-20(26)16-8-10-18(11-9-16)24-21(27)17-7-6-15(3)19(22)14-17/h6-11,14H,4-5,12-13H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of 3-bromo-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-methylbenzamide?
3-bromo-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-methylbenzamide has a molecular weight of 432.36 g/mol, XLogP of 4.08, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-methylbenzamide is sourced from PubChem (CID 17229756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).