4-(5-bromo-2-cyanoanilino)benzamide

C14H10BrN3O — CID 114901303

IUPAC4-(5-bromo-2-cyanoanilino)benzamide
SMILESN#Cc1ccc(Br)cc1Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C14H10BrN3O/c15-11-4-1-10(8-16)13(7-11)18-12-5-2-9(3-6-12)14(17)19/h1-7,18H,(H2,17,19)
InChIKeyQWEGWWVLXOSZKT-UHFFFAOYSA-N
MW316.16 g/mol
LogP3.16
Rot. Bonds3

About 4-(5-bromo-2-cyanoanilino)benzamide

4-(5-bromo-2-cyanoanilino)benzamide (PubChem CID 114901303) has the molecular formula C14H10BrN3O and a molecular weight of 316.16 g/mol. Its IUPAC name is 4-(5-bromo-2-cyanoanilino)benzamide.

Molecular Properties

Compound Name4-(5-bromo-2-cyanoanilino)benzamide
PubChem CID114901303
Molecular FormulaC14H10BrN3O
Molecular Weight316.16 g/mol
Exact Mass315.00
IUPAC Name4-(5-bromo-2-cyanoanilino)benzamide
SMILESN#Cc1ccc(Br)cc1Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C14H10BrN3O/c15-11-4-1-10(8-16)13(7-11)18-12-5-2-9(3-6-12)14(17)19/h1-7,18H,(H2,17,19)
InChIKeyQWEGWWVLXOSZKT-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

4-bromo-2-(4-chloroanilino)benzonitrile
CID 114901338
4-bromo-2-[4-(dimethylamino)anilino]benzonitrile
CID 114901483
2-(5-bromo-2-cyanoanilino)-2-methylpropanamide
CID 114901722
4-bromo-N-(5-bromo-2-cyanophenyl)benzamide
CID 104880230
4-amino-3-(4-bromoanilino)benzamide
CID 63356088
2-(3-amino-5-methylanilino)-4-bromobenzonitrile
CID 107797158
2-[(5-amino-3-pyridinyl)amino]-4-bromobenzonitrile
CID 107801738
3-amino-4-bromo-N-(5-bromo-2-cyanophenyl)benzamide
CID 107796982
4-bromo-2-(hydroxyamino)benzonitrile
CID 130500579
2-(2-amino-4,5-dichloroanilino)-4-bromobenzonitrile
CID 107797069
2-(5-bromo-2-cyanoanilino)-N-carbamoylacetamide
CID 107798022
2-(2-amino-5-bromoanilino)-4-chlorobenzonitrile
CID 65342420

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-cyanoanilino)benzamide?
The IUPAC name of 4-(5-bromo-2-cyanoanilino)benzamide (CID 114901303) is 4-(5-bromo-2-cyanoanilino)benzamide.
What is the SMILES notation for 4-(5-bromo-2-cyanoanilino)benzamide?
The canonical SMILES for 4-(5-bromo-2-cyanoanilino)benzamide is N#Cc1ccc(Br)cc1Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-(5-bromo-2-cyanoanilino)benzamide?
The InChIKey is QWEGWWVLXOSZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O/c15-11-4-1-10(8-16)13(7-11)18-12-5-2-9(3-6-12)14(17)19/h1-7,18H,(H2,17,19).
What are the key properties of 4-(5-bromo-2-cyanoanilino)benzamide?
4-(5-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 4-(5-bromo-2-cyanoanilino)benzamide is sourced from PubChem (CID 114901303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).