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

C14H10BrN3O — CID 107811349

IUPAC3-(3-bromo-2-cyanoanilino)benzamide
SMILESN#Cc1c(Br)cccc1Nc1cccc(C(N)=O)c1
InChIInChI=1S/C14H10BrN3O/c15-12-5-2-6-13(11(12)8-16)18-10-4-1-3-9(7-10)14(17)19/h1-7,18H,(H2,17,19)
InChIKeyQTYLYHYPTYSZKH-UHFFFAOYSA-N
MW316.16 g/mol
LogP3.16
Rot. Bonds3

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

3-(3-bromo-2-cyanoanilino)benzamide (PubChem CID 107811349) has the molecular formula C14H10BrN3O and a molecular weight of 316.16 g/mol. Its IUPAC name is 3-(3-bromo-2-cyanoanilino)benzamide.

Molecular Properties

Compound Name3-(3-bromo-2-cyanoanilino)benzamide
PubChem CID107811349
Molecular FormulaC14H10BrN3O
Molecular Weight316.16 g/mol
Exact Mass315.00
IUPAC Name3-(3-bromo-2-cyanoanilino)benzamide
SMILESN#Cc1c(Br)cccc1Nc1cccc(C(N)=O)c1
InChIInChI=1S/C14H10BrN3O/c15-12-5-2-6-13(11(12)8-16)18-10-4-1-3-9(7-10)14(17)19/h1-7,18H,(H2,17,19)
InChIKeyQTYLYHYPTYSZKH-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

Analyze 3-(3-bromo-2-cyanoanilino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-bromo-4-cyanoanilino)benzamide
CID 107811367
3-(2-bromo-4-carbamothioylanilino)benzamide
CID 107811417
2-bromo-6-[3-(trifluoromethoxy)anilino]benzonitrile
CID 114880532
2-bromo-6-(2-bromoanilino)benzonitrile
CID 114880504
2-bromo-6-(3-iodo-4-methylanilino)benzonitrile
CID 114257443
3-(cyanoamino)benzamide
CID 19926828
3-(3-bromo-2-cyanoanilino)-3-methylbutanamide
CID 114142914
2-amino-3-(3-carbamoylanilino)benzoic acid
CID 107809791
3-[(6-cyano-2-pyridinyl)amino]benzamide
CID 107811342
4-(3-bromo-2-cyanoanilino)butanamide
CID 114880659
2-(3-bromo-2-cyanoanilino)-6-fluorobenzonitrile
CID 114880644
3-[[2-(2-bromoanilino)-2-oxoethyl]amino]benzamide
CID 54842256

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2-cyanoanilino)benzamide?
The IUPAC name of 3-(3-bromo-2-cyanoanilino)benzamide (CID 107811349) is 3-(3-bromo-2-cyanoanilino)benzamide.
What is the SMILES notation for 3-(3-bromo-2-cyanoanilino)benzamide?
The canonical SMILES for 3-(3-bromo-2-cyanoanilino)benzamide is N#Cc1c(Br)cccc1Nc1cccc(C(N)=O)c1.
What is the InChIKey of 3-(3-bromo-2-cyanoanilino)benzamide?
The InChIKey is QTYLYHYPTYSZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O/c15-12-5-2-6-13(11(12)8-16)18-10-4-1-3-9(7-10)14(17)19/h1-7,18H,(H2,17,19).
What are the key properties of 3-(3-bromo-2-cyanoanilino)benzamide?
3-(3-bromo-2-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-(3-bromo-2-cyanoanilino)benzamide is sourced from PubChem (CID 107811349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).