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

C16H22BrNO — CID 884873

IUPAC2-(4-bromophenyl)-N-cyclohexyl-N-ethylacetamide
SMILESCCN(C(=O)Cc1ccc(Br)cc1)C1CCCCC1
InChIInChI=1S/C16H22BrNO/c1-2-18(15-6-4-3-5-7-15)16(19)12-13-8-10-14(17)11-9-13/h8-11,15H,2-7,12H2,1H3
InChIKeyYJXXJBXJXGFAOK-UHFFFAOYSA-N
MW324.26 g/mol
LogP4.17
Rot. Bonds4

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

2-(4-bromophenyl)-N-cyclohexyl-N-ethylacetamide (PubChem CID 884873) has the molecular formula C16H22BrNO and a molecular weight of 324.26 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-cyclohexyl-N-ethylacetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-cyclohexyl-N-ethylacetamide
PubChem CID884873
Molecular FormulaC16H22BrNO
Molecular Weight324.26 g/mol
Exact Mass323.09
IUPAC Name2-(4-bromophenyl)-N-cyclohexyl-N-ethylacetamide
SMILESCCN(C(=O)Cc1ccc(Br)cc1)C1CCCCC1
InChIInChI=1S/C16H22BrNO/c1-2-18(15-6-4-3-5-7-15)16(19)12-13-8-10-14(17)11-9-13/h8-11,15H,2-7,12H2,1H3
InChIKeyYJXXJBXJXGFAOK-UHFFFAOYSA-N
XLogP4.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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
N-cyclohexyl-N-ethyl-3-phenylpropanamide
CID 670110
4-bromo-N,N-diethylbenzamide
CID 4498254
2-(4-bromophenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 821124
4-bromo-N-(4-phenylbutan-2-yl)benzamide
CID 2903019
2-(4-bromophenyl)-N-cyclohexylacetamide
CID 842496
1-(2,6-Dimethyl-1-piperidinyl)-2-phenylethanone
CID 2838535
1-[4-[4-[(4-Bromophenyl)methyl]piperidin-1-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 44389684
(3R,5S)-5-(4-bromophenyl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one
CID 44565155
2-(4-bromophenyl)-N-(4-phenylbutan-2-yl)acetamide
CID 2915482
2-(4-Bromophenyl)-1-(pyrrolidin-1-yl)ethanone
CID 669928

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-cyclohexyl-N-ethylacetamide?
The IUPAC name of 2-(4-bromophenyl)-N-cyclohexyl-N-ethylacetamide (CID 884873) is 2-(4-bromophenyl)-N-cyclohexyl-N-ethylacetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-cyclohexyl-N-ethylacetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-cyclohexyl-N-ethylacetamide is CCN(C(=O)Cc1ccc(Br)cc1)C1CCCCC1.
What is the InChIKey of 2-(4-bromophenyl)-N-cyclohexyl-N-ethylacetamide?
The InChIKey is YJXXJBXJXGFAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO/c1-2-18(15-6-4-3-5-7-15)16(19)12-13-8-10-14(17)11-9-13/h8-11,15H,2-7,12H2,1H3.
What are the key properties of 2-(4-bromophenyl)-N-cyclohexyl-N-ethylacetamide?
2-(4-bromophenyl)-N-cyclohexyl-N-ethylacetamide has a molecular weight of 324.26 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-cyclohexyl-N-ethylacetamide is sourced from PubChem (CID 884873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).