3-(N-acetyl-4-bromoanilino)-N-methyl-N-phenylpropanamide

C18H19BrN2O2 — CID 113128623

IUPAC3-(N-acetyl-4-bromoanilino)-N-methyl-N-phenylpropanamide
SMILESCC(=O)N(CCC(=O)N(C)c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C18H19BrN2O2/c1-14(22)21(17-10-8-15(19)9-11-17)13-12-18(23)20(2)16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3
InChIKeyTUWXELJJAVCIHQ-UHFFFAOYSA-N
MW375.27 g/mol
LogP3.86
Rot. Bonds5

About 3-(N-acetyl-4-bromoanilino)-N-methyl-N-phenylpropanamide

3-(N-acetyl-4-bromoanilino)-N-methyl-N-phenylpropanamide (PubChem CID 113128623) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is 3-(N-acetyl-4-bromoanilino)-N-methyl-N-phenylpropanamide.

Molecular Properties

Compound Name3-(N-acetyl-4-bromoanilino)-N-methyl-N-phenylpropanamide
PubChem CID113128623
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC Name3-(N-acetyl-4-bromoanilino)-N-methyl-N-phenylpropanamide
SMILESCC(=O)N(CCC(=O)N(C)c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C18H19BrN2O2/c1-14(22)21(17-10-8-15(19)9-11-17)13-12-18(23)20(2)16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3
InChIKeyTUWXELJJAVCIHQ-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

3-(N-acetyl-3,4-dichloroanilino)-N-methyl-N-phenylpropanamide
CID 113133788
3-(N-acetyl-3-fluoroanilino)-N-methyl-N-phenylpropanamide
CID 113132424
3-(N-acetyl-2,6-diethylanilino)-N-methyl-N-phenylpropanamide
CID 113126191
3-(3-acetamido-N-acetylanilino)-N-methyl-N-phenylpropanamide
CID 113131003
2-(N-acetyl-4-bromoanilino)-N-ethyl-N-phenylacetamide
CID 113172989
2-(4-bromophenoxy)-N-methyl-N-phenylacetamide
CID 888242
3-[acetyl(3-phenylpropyl)amino]-N-methyl-N-phenylpropanamide
CID 113122262
2-(N-acetyl-4-ethylanilino)-N-methyl-N-phenylacetamide
CID 113169298
N-[2-(N-acetyl-4-bromoanilino)ethyl]-2-phenylacetamide
CID 113060356
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-N-phenylacetamide
CID 113057237
N-(2-hydroxyethyl)-N-phenylacetamide
CID 11344342
3-hydroxy-N-methyl-N-phenylpropanamide
CID 82111467

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-4-bromoanilino)-N-methyl-N-phenylpropanamide?
The IUPAC name of 3-(N-acetyl-4-bromoanilino)-N-methyl-N-phenylpropanamide (CID 113128623) is 3-(N-acetyl-4-bromoanilino)-N-methyl-N-phenylpropanamide.
What is the SMILES notation for 3-(N-acetyl-4-bromoanilino)-N-methyl-N-phenylpropanamide?
The canonical SMILES for 3-(N-acetyl-4-bromoanilino)-N-methyl-N-phenylpropanamide is CC(=O)N(CCC(=O)N(C)c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of 3-(N-acetyl-4-bromoanilino)-N-methyl-N-phenylpropanamide?
The InChIKey is TUWXELJJAVCIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c1-14(22)21(17-10-8-15(19)9-11-17)13-12-18(23)20(2)16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3.
What are the key properties of 3-(N-acetyl-4-bromoanilino)-N-methyl-N-phenylpropanamide?
3-(N-acetyl-4-bromoanilino)-N-methyl-N-phenylpropanamide 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 3-(N-acetyl-4-bromoanilino)-N-methyl-N-phenylpropanamide is sourced from PubChem (CID 113128623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).