2-(N-acetyl-4-bromoanilino)-N-ethyl-N-phenylacetamide

C18H19BrN2O2 — CID 113172989

IUPAC2-(N-acetyl-4-bromoanilino)-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)CN(C(C)=O)c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C18H19BrN2O2/c1-3-20(16-7-5-4-6-8-16)18(23)13-21(14(2)22)17-11-9-15(19)10-12-17/h4-12H,3,13H2,1-2H3
InChIKeyUYXDSKCGKYXVTM-UHFFFAOYSA-N
MW375.27 g/mol
LogP3.86
Rot. Bonds5

About 2-(N-acetyl-4-bromoanilino)-N-ethyl-N-phenylacetamide

2-(N-acetyl-4-bromoanilino)-N-ethyl-N-phenylacetamide (PubChem CID 113172989) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is 2-(N-acetyl-4-bromoanilino)-N-ethyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-bromoanilino)-N-ethyl-N-phenylacetamide
PubChem CID113172989
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC Name2-(N-acetyl-4-bromoanilino)-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)CN(C(C)=O)c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C18H19BrN2O2/c1-3-20(16-7-5-4-6-8-16)18(23)13-21(14(2)22)17-11-9-15(19)10-12-17/h4-12H,3,13H2,1-2H3
InChIKeyUYXDSKCGKYXVTM-UHFFFAOYSA-N
XLogP3.86
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-ethyl-N-phenylacetamide
CID 113177031
2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-ethyl-N-phenylacetamide
CID 113177424
2-(N-acetyl-3-cyanoanilino)-N-ethyl-N-phenylacetamide
CID 113180925
3-amino-N-(4-bromophenyl)-N-ethylpropanamide
CID 28795394
2-(N-acetyl-3-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113167645
2-(N-acetyl-4-bromoanilino)-N-butyl-N-methylacetamide
CID 113172969
3-(N-acetyl-4-bromoanilino)-N-methyl-N-phenylpropanamide
CID 113128623
2-bromo-1,1-difluoroethene;N-ethyl-N-phenylacetamide
CID 174953014
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
3-(4-bromoanilino)-N-ethyl-N-phenylpropanamide
CID 109036445
2-(N-acetyl-4-ethylanilino)-N-methyl-N-phenylacetamide
CID 113169298
2-(N-acetyl-4-ethoxyanilino)-N-methyl-N-phenylacetamide
CID 113173931

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-bromoanilino)-N-ethyl-N-phenylacetamide?
The IUPAC name of 2-(N-acetyl-4-bromoanilino)-N-ethyl-N-phenylacetamide (CID 113172989) is 2-(N-acetyl-4-bromoanilino)-N-ethyl-N-phenylacetamide.
What is the SMILES notation for 2-(N-acetyl-4-bromoanilino)-N-ethyl-N-phenylacetamide?
The canonical SMILES for 2-(N-acetyl-4-bromoanilino)-N-ethyl-N-phenylacetamide is CCN(C(=O)CN(C(C)=O)c1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of 2-(N-acetyl-4-bromoanilino)-N-ethyl-N-phenylacetamide?
The InChIKey is UYXDSKCGKYXVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c1-3-20(16-7-5-4-6-8-16)18(23)13-21(14(2)22)17-11-9-15(19)10-12-17/h4-12H,3,13H2,1-2H3.
What are the key properties of 2-(N-acetyl-4-bromoanilino)-N-ethyl-N-phenylacetamide?
2-(N-acetyl-4-bromoanilino)-N-ethyl-N-phenylacetamide has a molecular weight of 375.27 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-bromoanilino)-N-ethyl-N-phenylacetamide is sourced from PubChem (CID 113172989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).