4-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide

C19H22BrN3O2 — CID 54834198

IUPAC4-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NCC(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C19H22BrN3O2/c1-3-23(4-2)19(25)14-5-9-16(10-6-14)21-13-18(24)22-17-11-7-15(20)8-12-17/h5-12,21H,3-4,13H2,1-2H3,(H,22,24)
InChIKeyQHVPIRFDNBPOFI-UHFFFAOYSA-N
MW404.31 g/mol
LogP3.98
Rot. Bonds7

About 4-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide

4-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide (PubChem CID 54834198) has the molecular formula C19H22BrN3O2 and a molecular weight of 404.31 g/mol. Its IUPAC name is 4-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide
PubChem CID54834198
Molecular FormulaC19H22BrN3O2
Molecular Weight404.31 g/mol
Exact Mass403.09
IUPAC Name4-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NCC(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C19H22BrN3O2/c1-3-23(4-2)19(25)14-5-9-16(10-6-14)21-13-18(24)22-17-11-7-15(20)8-12-17/h5-12,21H,3-4,13H2,1-2H3,(H,22,24)
InChIKeyQHVPIRFDNBPOFI-UHFFFAOYSA-N
XLogP3.98
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.31
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(4-bromoanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54811247
N,N-diethyl-4-[[2-(4-iodoanilino)acetyl]amino]benzamide
CID 54812461
4-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide
CID 54846187
4-[[2-(4-ethoxyanilino)acetyl]amino]-N,N-diethylbenzamide
CID 54811099
4-[[4-(4-bromophenyl)-4-oxobutanoyl]amino]-N,N-diethylbenzamide
CID 34542934
4-[[2-[4-[acetyl(methyl)amino]anilino]-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54834231
N,N-diethyl-4-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]benzamide
CID 54834104
N,N-diethyl-4-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide
CID 54834109
N,N-diethyl-4-[[2-(ethylamino)acetyl]amino]benzamide
CID 54820671
4-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide
CID 30706648
4-[[2-(4-bromoanilino)acetyl]amino]-N-propylbenzamide
CID 54811079
4-[[2-(dimethylamino)acetyl]amino]-N,N-diethylbenzamide
CID 54843896

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide?
The IUPAC name of 4-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide (CID 54834198) is 4-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide?
The canonical SMILES for 4-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(NCC(=O)Nc2ccc(Br)cc2)cc1.
What is the InChIKey of 4-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide?
The InChIKey is QHVPIRFDNBPOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O2/c1-3-23(4-2)19(25)14-5-9-16(10-6-14)21-13-18(24)22-17-11-7-15(20)8-12-17/h5-12,21H,3-4,13H2,1-2H3,(H,22,24).
What are the key properties of 4-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide?
4-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide has a molecular weight of 404.31 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide is sourced from PubChem (CID 54834198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).