4-[[2-(4-bromoanilino)acetyl]amino]-N,N-dipropylbenzamide

C21H26BrN3O2 — CID 54811247

IUPAC4-[[2-(4-bromoanilino)acetyl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(NC(=O)CNc2ccc(Br)cc2)cc1
InChIInChI=1S/C21H26BrN3O2/c1-3-13-25(14-4-2)21(27)16-5-9-19(10-6-16)24-20(26)15-23-18-11-7-17(22)8-12-18/h5-12,23H,3-4,13-15H2,1-2H3,(H,24,26)
InChIKeyKTPMOZXDZFKNKA-UHFFFAOYSA-N
MW432.36 g/mol
LogP4.76
Rot. Bonds9

About 4-[[2-(4-bromoanilino)acetyl]amino]-N,N-dipropylbenzamide

4-[[2-(4-bromoanilino)acetyl]amino]-N,N-dipropylbenzamide (PubChem CID 54811247) has the molecular formula C21H26BrN3O2 and a molecular weight of 432.36 g/mol. Its IUPAC name is 4-[[2-(4-bromoanilino)acetyl]amino]-N,N-dipropylbenzamide.

Molecular Properties

Compound Name4-[[2-(4-bromoanilino)acetyl]amino]-N,N-dipropylbenzamide
PubChem CID54811247
Molecular FormulaC21H26BrN3O2
Molecular Weight432.36 g/mol
Exact Mass431.12
IUPAC Name4-[[2-(4-bromoanilino)acetyl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(NC(=O)CNc2ccc(Br)cc2)cc1
InChIInChI=1S/C21H26BrN3O2/c1-3-13-25(14-4-2)21(27)16-5-9-19(10-6-16)24-20(26)15-23-18-11-7-17(22)8-12-18/h5-12,23H,3-4,13-15H2,1-2H3,(H,24,26)
InChIKeyKTPMOZXDZFKNKA-UHFFFAOYSA-N
XLogP4.76
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.36
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54834198
4-[[2-(4-methylanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54813932
4-[[2-(4-iodoanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54832241
methyl 4-[[2-[4-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 54816864
4-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]-N,N-dipropylbenzamide
CID 54832147
4-[[2-(3,4-dichloroanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54832307
4-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54818198
4-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54832242
4-[[2-(4-bromoanilino)acetyl]amino]-N-propylbenzamide
CID 54811079
4-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54832146
4-[[2-(4-hexoxyanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54820826
4-[[2-(3-propan-2-yloxyanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54830248

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-bromoanilino)acetyl]amino]-N,N-dipropylbenzamide?
The IUPAC name of 4-[[2-(4-bromoanilino)acetyl]amino]-N,N-dipropylbenzamide (CID 54811247) is 4-[[2-(4-bromoanilino)acetyl]amino]-N,N-dipropylbenzamide.
What is the SMILES notation for 4-[[2-(4-bromoanilino)acetyl]amino]-N,N-dipropylbenzamide?
The canonical SMILES for 4-[[2-(4-bromoanilino)acetyl]amino]-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1ccc(NC(=O)CNc2ccc(Br)cc2)cc1.
What is the InChIKey of 4-[[2-(4-bromoanilino)acetyl]amino]-N,N-dipropylbenzamide?
The InChIKey is KTPMOZXDZFKNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26BrN3O2/c1-3-13-25(14-4-2)21(27)16-5-9-19(10-6-16)24-20(26)15-23-18-11-7-17(22)8-12-18/h5-12,23H,3-4,13-15H2,1-2H3,(H,24,26).
What are the key properties of 4-[[2-(4-bromoanilino)acetyl]amino]-N,N-dipropylbenzamide?
4-[[2-(4-bromoanilino)acetyl]amino]-N,N-dipropylbenzamide has a molecular weight of 432.36 g/mol, XLogP of 4.76, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-bromoanilino)acetyl]amino]-N,N-dipropylbenzamide is sourced from PubChem (CID 54811247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).