3-acetamido-N-(2-bromophenyl)-3-(4-methylphenyl)propanamide

C18H19BrN2O2 — CID 51194779

IUPAC3-acetamido-N-(2-bromophenyl)-3-(4-methylphenyl)propanamide
SMILESCC(=O)NC(CC(=O)Nc1ccccc1Br)c1ccc(C)cc1
InChIInChI=1S/C18H19BrN2O2/c1-12-7-9-14(10-8-12)17(20-13(2)22)11-18(23)21-16-6-4-3-5-15(16)19/h3-10,17H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyOBSLAXRJELASJI-UHFFFAOYSA-N
MW375.27 g/mol
LogP3.96
Rot. Bonds5

About 3-acetamido-N-(2-bromophenyl)-3-(4-methylphenyl)propanamide

3-acetamido-N-(2-bromophenyl)-3-(4-methylphenyl)propanamide (PubChem CID 51194779) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is 3-acetamido-N-(2-bromophenyl)-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-acetamido-N-(2-bromophenyl)-3-(4-methylphenyl)propanamide
PubChem CID51194779
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC Name3-acetamido-N-(2-bromophenyl)-3-(4-methylphenyl)propanamide
SMILESCC(=O)NC(CC(=O)Nc1ccccc1Br)c1ccc(C)cc1
InChIInChI=1S/C18H19BrN2O2/c1-12-7-9-14(10-8-12)17(20-13(2)22)11-18(23)21-16-6-4-3-5-15(16)19/h3-10,17H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyOBSLAXRJELASJI-UHFFFAOYSA-N
XLogP3.96
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-acetamido-3-(4-methylphenyl)-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 46691343
(3R)-3-acetamido-N-(2-methylphenyl)-3-phenylpropanamide
CID 2599103
3-acetamido-N-(3,5-dimethylphenyl)-3-(4-methylphenyl)propanamide
CID 51195095
(3R)-3-acetamido-N-(4-methylphenyl)-3-phenylpropanamide
CID 2664823
3-acetamido-3-(4-bromophenyl)-N-(2-methylsulfanylphenyl)propanamide
CID 112811989
3-acetamido-N-(2-bromophenyl)-3-thiophen-2-ylpropanamide
CID 51309268
3-acetamido-N-(2-hydroxy-4-methylphenyl)-3-(4-methylphenyl)propanamide
CID 46690602
3-acetamido-3-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 51314280
2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-cyclopropylbenzamide
CID 51312955
3-acetamido-N-(2-hydroxyphenyl)-3-phenylpropanamide
CID 78796655
2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-(3-amino-3-oxopropyl)benzamide
CID 56573015
3-acetamido-N-(4-chloro-2-fluorophenyl)-3-(4-methylphenyl)propanamide
CID 51195101

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(2-bromophenyl)-3-(4-methylphenyl)propanamide?
The IUPAC name of 3-acetamido-N-(2-bromophenyl)-3-(4-methylphenyl)propanamide (CID 51194779) is 3-acetamido-N-(2-bromophenyl)-3-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-acetamido-N-(2-bromophenyl)-3-(4-methylphenyl)propanamide?
The canonical SMILES for 3-acetamido-N-(2-bromophenyl)-3-(4-methylphenyl)propanamide is CC(=O)NC(CC(=O)Nc1ccccc1Br)c1ccc(C)cc1.
What is the InChIKey of 3-acetamido-N-(2-bromophenyl)-3-(4-methylphenyl)propanamide?
The InChIKey is OBSLAXRJELASJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c1-12-7-9-14(10-8-12)17(20-13(2)22)11-18(23)21-16-6-4-3-5-15(16)19/h3-10,17H,11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 3-acetamido-N-(2-bromophenyl)-3-(4-methylphenyl)propanamide?
3-acetamido-N-(2-bromophenyl)-3-(4-methylphenyl)propanamide has a molecular weight of 375.27 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(2-bromophenyl)-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 51194779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).