3-(2-bromo-4-cyanoanilino)benzamide

C14H10BrN3O — CID 107811367

IUPAC3-(2-bromo-4-cyanoanilino)benzamide
SMILESN#Cc1ccc(Nc2cccc(C(N)=O)c2)c(Br)c1
InChIInChI=1S/C14H10BrN3O/c15-12-6-9(8-16)4-5-13(12)18-11-3-1-2-10(7-11)14(17)19/h1-7,18H,(H2,17,19)
InChIKeyOLXGNWRIQJEYDC-UHFFFAOYSA-N
MW316.16 g/mol
LogP3.16
Rot. Bonds3

About 3-(2-bromo-4-cyanoanilino)benzamide

3-(2-bromo-4-cyanoanilino)benzamide (PubChem CID 107811367) has the molecular formula C14H10BrN3O and a molecular weight of 316.16 g/mol. Its IUPAC name is 3-(2-bromo-4-cyanoanilino)benzamide.

Molecular Properties

Compound Name3-(2-bromo-4-cyanoanilino)benzamide
PubChem CID107811367
Molecular FormulaC14H10BrN3O
Molecular Weight316.16 g/mol
Exact Mass315.00
IUPAC Name3-(2-bromo-4-cyanoanilino)benzamide
SMILESN#Cc1ccc(Nc2cccc(C(N)=O)c2)c(Br)c1
InChIInChI=1S/C14H10BrN3O/c15-12-6-9(8-16)4-5-13(12)18-11-3-1-2-10(7-11)14(17)19/h1-7,18H,(H2,17,19)
InChIKeyOLXGNWRIQJEYDC-UHFFFAOYSA-N
XLogP3.16
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-(2-bromo-4-cyanoanilino)benzamide
CID 107787268
4-amino-3-(2-bromo-4-cyanoanilino)benzamide
CID 107787252
3-[(2-bromo-4-cyanoanilino)methyl]benzamide
CID 63276987
3-(3-bromo-2-cyanoanilino)benzamide
CID 107811349
3-(2-bromo-4-carbamothioylanilino)benzamide
CID 107811417
3-bromo-4-(3-ethynylanilino)benzonitrile
CID 82797861
2-(2-bromo-4-cyanoanilino)acetamide
CID 82797706
3-bromo-4-(3,4-dimethoxyanilino)benzonitrile
CID 82796843
3-bromo-4-(2,4-dibromoanilino)benzonitrile
CID 82797505
3-(cyanoamino)benzamide
CID 19926828
N-(2-bromo-4-cyanophenyl)-2-cyanoacetamide
CID 107790761
2-amino-3-(3-carbamoylanilino)benzoic acid
CID 107809791

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4-cyanoanilino)benzamide?
The IUPAC name of 3-(2-bromo-4-cyanoanilino)benzamide (CID 107811367) is 3-(2-bromo-4-cyanoanilino)benzamide.
What is the SMILES notation for 3-(2-bromo-4-cyanoanilino)benzamide?
The canonical SMILES for 3-(2-bromo-4-cyanoanilino)benzamide is N#Cc1ccc(Nc2cccc(C(N)=O)c2)c(Br)c1.
What is the InChIKey of 3-(2-bromo-4-cyanoanilino)benzamide?
The InChIKey is OLXGNWRIQJEYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O/c15-12-6-9(8-16)4-5-13(12)18-11-3-1-2-10(7-11)14(17)19/h1-7,18H,(H2,17,19).
What are the key properties of 3-(2-bromo-4-cyanoanilino)benzamide?
3-(2-bromo-4-cyanoanilino)benzamide has a molecular weight of 316.16 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4-cyanoanilino)benzamide is sourced from PubChem (CID 107811367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).