2-(4-bromophenyl)-N-butyl-N-ethylacetamide

C14H20BrNO — CID 2162219

IUPAC2-(4-bromophenyl)-N-butyl-N-ethylacetamide
SMILESCCCCN(CC)C(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO/c1-3-5-10-16(4-2)14(17)11-12-6-8-13(15)9-7-12/h6-9H,3-5,10-11H2,1-2H3
InChIKeyPGEHVAXPOZEEJB-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.64
Rot. Bonds6

About 2-(4-bromophenyl)-N-butyl-N-ethylacetamide

2-(4-bromophenyl)-N-butyl-N-ethylacetamide (PubChem CID 2162219) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-butyl-N-ethylacetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-butyl-N-ethylacetamide
PubChem CID2162219
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name2-(4-bromophenyl)-N-butyl-N-ethylacetamide
SMILESCCCCN(CC)C(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO/c1-3-5-10-16(4-2)14(17)11-12-6-8-13(15)9-7-12/h6-9H,3-5,10-11H2,1-2H3
InChIKeyPGEHVAXPOZEEJB-UHFFFAOYSA-N
XLogP3.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-Diethyl-2-phenylacetamide
CID 17076
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2-(4-Bromo-phenyl)-1-(2-pyrrolidin-1-ylmethyl-piperidin-1-yl)-ethanone(HCl)
CID 14810967
N-Benzyl-2-(4-bromo-phenyl)-acetamide
CID 670038
2-(4-Bromophenyl)acetamide
CID 256951
4-bromo-N,N-diethylbenzamide
CID 4498254
3-(3-bromophenyl)-N-ethylpropanamide
CID 44531540
2-(4-bromophenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 821124
2-(4-fluorophenyl)-N,N-dipropylacetamide
CID 1121963
2-(4-bromophenyl)-N-(3-isopropoxypropyl)acetamide
CID 2225812
2-(4-bromophenyl)-N-cyclohexylacetamide
CID 842496
2-(4-bromophenyl)-N-(4-phenylbutan-2-yl)acetamide
CID 2915482

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-butyl-N-ethylacetamide?
The IUPAC name of 2-(4-bromophenyl)-N-butyl-N-ethylacetamide (CID 2162219) is 2-(4-bromophenyl)-N-butyl-N-ethylacetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-butyl-N-ethylacetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-butyl-N-ethylacetamide is CCCCN(CC)C(=O)Cc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-butyl-N-ethylacetamide?
The InChIKey is PGEHVAXPOZEEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-3-5-10-16(4-2)14(17)11-12-6-8-13(15)9-7-12/h6-9H,3-5,10-11H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-N-butyl-N-ethylacetamide?
2-(4-bromophenyl)-N-butyl-N-ethylacetamide has a molecular weight of 298.22 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-butyl-N-ethylacetamide is sourced from PubChem (CID 2162219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).