N-(3-bromophenyl)-3-(2-cyanoanilino)propanamide

C16H14BrN3O — CID 109042155

IUPACN-(3-bromophenyl)-3-(2-cyanoanilino)propanamide
SMILESN#Cc1ccccc1NCCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C16H14BrN3O/c17-13-5-3-6-14(10-13)20-16(21)8-9-19-15-7-2-1-4-12(15)11-18/h1-7,10,19H,8-9H2,(H,20,21)
InChIKeyHBSFJSOCEPUHKN-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.76
Rot. Bonds5

About N-(3-bromophenyl)-3-(2-cyanoanilino)propanamide

N-(3-bromophenyl)-3-(2-cyanoanilino)propanamide (PubChem CID 109042155) has the molecular formula C16H14BrN3O and a molecular weight of 344.21 g/mol. Its IUPAC name is N-(3-bromophenyl)-3-(2-cyanoanilino)propanamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-3-(2-cyanoanilino)propanamide
PubChem CID109042155
Molecular FormulaC16H14BrN3O
Molecular Weight344.21 g/mol
Exact Mass343.03
IUPAC NameN-(3-bromophenyl)-3-(2-cyanoanilino)propanamide
SMILESN#Cc1ccccc1NCCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C16H14BrN3O/c17-13-5-3-6-14(10-13)20-16(21)8-9-19-15-7-2-1-4-12(15)11-18/h1-7,10,19H,8-9H2,(H,20,21)
InChIKeyHBSFJSOCEPUHKN-UHFFFAOYSA-N
XLogP3.76
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-cyanoanilino)-N-(3-methoxyphenyl)propanamide
CID 109039534
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CID 16620730
N-(3-bromophenyl)-3-(4-cyanoanilino)propanamide
CID 109042157
3-(2-cyanoanilino)-N-(4-cyanophenyl)propanamide
CID 109042814
N-(3-bromophenyl)-3-[2-(trifluoromethyl)anilino]propanamide
CID 109040694
3-(2-cyanoanilino)-N-(2,3-dimethylphenyl)propanamide
CID 109036006
N-(3-bromophenyl)-2-cyanoacetamide
CID 846049
N-(3-bromophenyl)-3-(4-fluoroanilino)propanamide
CID 109037759
N-(3-bromophenyl)-2-(2-cyano-3-methylanilino)acetamide
CID 107804330
3-(4-cyanoanilino)-N-(2-cyanophenyl)propanamide
CID 109042807
N-(3-acetamidophenyl)-3-(2-bromoanilino)propanamide
CID 109041106
3-(3-bromoanilino)-N-(3,4-difluorophenyl)propanamide
CID 109042183

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3-(2-cyanoanilino)propanamide?
The IUPAC name of N-(3-bromophenyl)-3-(2-cyanoanilino)propanamide (CID 109042155) is N-(3-bromophenyl)-3-(2-cyanoanilino)propanamide.
What is the SMILES notation for N-(3-bromophenyl)-3-(2-cyanoanilino)propanamide?
The canonical SMILES for N-(3-bromophenyl)-3-(2-cyanoanilino)propanamide is N#Cc1ccccc1NCCC(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-3-(2-cyanoanilino)propanamide?
The InChIKey is HBSFJSOCEPUHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O/c17-13-5-3-6-14(10-13)20-16(21)8-9-19-15-7-2-1-4-12(15)11-18/h1-7,10,19H,8-9H2,(H,20,21).
What are the key properties of N-(3-bromophenyl)-3-(2-cyanoanilino)propanamide?
N-(3-bromophenyl)-3-(2-cyanoanilino)propanamide has a molecular weight of 344.21 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3-(2-cyanoanilino)propanamide is sourced from PubChem (CID 109042155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).