2-(3-bromophenyl)-N-ethyl-N-phenylacetamide

C16H16BrNO — CID 113098483

IUPAC2-(3-bromophenyl)-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)Cc1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C16H16BrNO/c1-2-18(15-9-4-3-5-10-15)16(19)12-13-7-6-8-14(17)11-13/h3-11H,2,12H2,1H3
InChIKeyQHCCLRBMZUKRLJ-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.04
Rot. Bonds4

About 2-(3-bromophenyl)-N-ethyl-N-phenylacetamide

2-(3-bromophenyl)-N-ethyl-N-phenylacetamide (PubChem CID 113098483) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-ethyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-ethyl-N-phenylacetamide
PubChem CID113098483
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC Name2-(3-bromophenyl)-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)Cc1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C16H16BrNO/c1-2-18(15-9-4-3-5-10-15)16(19)12-13-7-6-8-14(17)11-13/h3-11H,2,12H2,1H3
InChIKeyQHCCLRBMZUKRLJ-UHFFFAOYSA-N
XLogP4.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromophenyl)-N-methyl-N-phenylacetamide
CID 22341541
3-[2-(3-bromophenyl)ethyl]-1-ethyl-1-phenylurea
CID 108901655
N-ethyl-N,2-bis(3-hydroxyphenyl)acetamide
CID 107735678
N-ethyl-N,2-bis(3-methylphenyl)acetamide
CID 113099036
N-(3,5-dimethylphenyl)-N-ethyl-2-phenylacetamide
CID 55592045
2-(3-bromophenyl)-N-(3-hydroxyphenyl)-N-methylacetamide
CID 107735949
2,5-dibromo-N-ethyl-N-phenylbenzamide
CID 53352174
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
N-(4-aminophenyl)-N-ethyl-2-(3-methylphenyl)acetamide
CID 63234126
2-(3-bromophenyl)-N-ethyl-N-(3-hydroxypropyl)acetamide
CID 115771726
N-benzyl-2-(4-bromophenyl)-N-phenylacetamide
CID 18281131
N-ethyl-2-(2-methylphenyl)-N-phenylacetamide
CID 113098481

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-ethyl-N-phenylacetamide?
The IUPAC name of 2-(3-bromophenyl)-N-ethyl-N-phenylacetamide (CID 113098483) is 2-(3-bromophenyl)-N-ethyl-N-phenylacetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-ethyl-N-phenylacetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-ethyl-N-phenylacetamide is CCN(C(=O)Cc1cccc(Br)c1)c1ccccc1.
What is the InChIKey of 2-(3-bromophenyl)-N-ethyl-N-phenylacetamide?
The InChIKey is QHCCLRBMZUKRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c1-2-18(15-9-4-3-5-10-15)16(19)12-13-7-6-8-14(17)11-13/h3-11H,2,12H2,1H3.
What are the key properties of 2-(3-bromophenyl)-N-ethyl-N-phenylacetamide?
2-(3-bromophenyl)-N-ethyl-N-phenylacetamide has a molecular weight of 318.21 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-ethyl-N-phenylacetamide is sourced from PubChem (CID 113098483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).