4-bromo-N-butyl-N-ethylbenzamide

C13H18BrNO — CID 2163974

IUPAC4-bromo-N-butyl-N-ethylbenzamide
SMILESCCCCN(CC)C(=O)C1=CC=C(C=C1)Br
InChIInChI=1S/C13H18BrNO/c1-3-5-10-15(4-2)13(16)11-6-8-12(14)9-7-11/h6-9H,3-5,10H2,1-2H3
InChIKeySAWCTVGCOGCYFH-UHFFFAOYSA-N
MW284.19 g/mol
LogP3.70
Rot. Bonds5

About 4-bromo-N-butyl-N-ethylbenzamide

4-bromo-N-butyl-N-ethylbenzamide (PubChem CID 2163974) has the molecular formula C13H18BrNO and a molecular weight of 284.19 g/mol. Its IUPAC name is 4-bromo-N-butyl-N-ethylbenzamide.

Molecular Properties

Compound Name4-bromo-N-butyl-N-ethylbenzamide
PubChem CID2163974
Molecular FormulaC13H18BrNO
Molecular Weight284.19 g/mol
Exact Mass283.06
IUPAC Name4-bromo-N-butyl-N-ethylbenzamide
SMILESCCCCN(CC)C(=O)C1=CC=C(C=C1)Br
InChIInChI=1S/C13H18BrNO/c1-3-5-10-15(4-2)13(16)11-6-8-12(14)9-7-11/h6-9H,3-5,10H2,1-2H3
InChIKeySAWCTVGCOGCYFH-UHFFFAOYSA-N
XLogP3.70
TPSA20.30 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity212

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-diethyl-m-toluamide
CID 4284
N,N-Diethylbenzamide
CID 15542
2-Methyl-N,N-diethylbenzamide
CID 75945
N,N-Dimethylbenzamide
CID 11916
N,N-Diethyl-p-toluamide
CID 75946
3-bromo-N-propylbenzamide
CID 3118655
4-(Diethylcarbamoyl)phenylboronic Acid
CID 2773375
Hexamide
CID 145704
N-(2-aminoethyl)-4-bromobenzamide
CID 10847785
N,N-Dibutylbenzamide
CID 32774
4-bromo-N,N-dimethylbenzamide
CID 140389
2-Bromo-N-methylbenzamide
CID 264945

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-butyl-N-ethylbenzamide?
The IUPAC name of 4-bromo-N-butyl-N-ethylbenzamide (CID 2163974) is 4-bromo-N-butyl-N-ethylbenzamide.
What is the SMILES notation for 4-bromo-N-butyl-N-ethylbenzamide?
The canonical SMILES for 4-bromo-N-butyl-N-ethylbenzamide is CCCCN(CC)C(=O)C1=CC=C(C=C1)Br.
What is the InChIKey of 4-bromo-N-butyl-N-ethylbenzamide?
The InChIKey is SAWCTVGCOGCYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-3-5-10-15(4-2)13(16)11-6-8-12(14)9-7-11/h6-9H,3-5,10H2,1-2H3.
What are the key properties of 4-bromo-N-butyl-N-ethylbenzamide?
4-bromo-N-butyl-N-ethylbenzamide has a molecular weight of 284.19 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-butyl-N-ethylbenzamide is sourced from PubChem (CID 2163974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).