N-(3-bromophenyl)-2-(4-cyanoanilino)acetamide

C15H12BrN3O — CID 26437461

IUPACN-(3-bromophenyl)-2-(4-cyanoanilino)acetamide
SMILESN#Cc1ccc(NCC(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C15H12BrN3O/c16-12-2-1-3-14(8-12)19-15(20)10-18-13-6-4-11(9-17)5-7-13/h1-8,18H,10H2,(H,19,20)
InChIKeyOVWAYOLEMJMPBV-UHFFFAOYSA-N
MW330.19 g/mol
LogP3.37
Rot. Bonds4

About N-(3-bromophenyl)-2-(4-cyanoanilino)acetamide

N-(3-bromophenyl)-2-(4-cyanoanilino)acetamide (PubChem CID 26437461) has the molecular formula C15H12BrN3O and a molecular weight of 330.19 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(4-cyanoanilino)acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(4-cyanoanilino)acetamide
PubChem CID26437461
Molecular FormulaC15H12BrN3O
Molecular Weight330.19 g/mol
Exact Mass329.02
IUPAC NameN-(3-bromophenyl)-2-(4-cyanoanilino)acetamide
SMILESN#Cc1ccc(NCC(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C15H12BrN3O/c16-12-2-1-3-14(8-12)19-15(20)10-18-13-6-4-11(9-17)5-7-13/h1-8,18H,10H2,(H,19,20)
InChIKeyOVWAYOLEMJMPBV-UHFFFAOYSA-N
XLogP3.37
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-3-(4-cyanoanilino)propanamide
CID 109042157
2-(4-bromoanilino)-N-(3-bromophenyl)acetamide
CID 7492464
N-(3-bromophenyl)-2-[4-(cyanomethyl)anilino]acetamide
CID 60661792
N-(3-bromophenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821614
N-(3-bromophenyl)-2-(2-cyano-3-methylanilino)acetamide
CID 107804330
3-(4-cyanoanilino)-N-(3-methylphenyl)propanamide
CID 109034224
2-(3-bromoanilino)-N-(4-chlorophenyl)acetamide
CID 9080372
2-(3-bromoanilino)-N-(4-iodophenyl)acetamide
CID 26416177
3-[[2-(3-bromoanilino)acetyl]amino]-N-methylbenzamide
CID 33159048
N-(4-cyanophenyl)-2-(4-fluoroanilino)acetamide
CID 9098665
N-(4-cyanophenyl)-2-(3-methoxyanilino)acetamide
CID 39381074
N-(3-bromophenyl)-2-cyanoacetamide
CID 846049

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(4-cyanoanilino)acetamide?
The IUPAC name of N-(3-bromophenyl)-2-(4-cyanoanilino)acetamide (CID 26437461) is N-(3-bromophenyl)-2-(4-cyanoanilino)acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(4-cyanoanilino)acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-(4-cyanoanilino)acetamide is N#Cc1ccc(NCC(=O)Nc2cccc(Br)c2)cc1.
What is the InChIKey of N-(3-bromophenyl)-2-(4-cyanoanilino)acetamide?
The InChIKey is OVWAYOLEMJMPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O/c16-12-2-1-3-14(8-12)19-15(20)10-18-13-6-4-11(9-17)5-7-13/h1-8,18H,10H2,(H,19,20).
What are the key properties of N-(3-bromophenyl)-2-(4-cyanoanilino)acetamide?
N-(3-bromophenyl)-2-(4-cyanoanilino)acetamide has a molecular weight of 330.19 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-(4-cyanoanilino)acetamide is sourced from PubChem (CID 26437461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).