3-amino-4-bromo-N-(4-cyanophenyl)benzamide

C14H10BrN3O — CID 61091150

IUPAC3-amino-4-bromo-N-(4-cyanophenyl)benzamide
SMILESN#Cc1ccc(NC(=O)c2ccc(Br)c(N)c2)cc1
InChIInChI=1S/C14H10BrN3O/c15-12-6-3-10(7-13(12)17)14(19)18-11-4-1-9(8-16)2-5-11/h1-7H,17H2,(H,18,19)
InChIKeyGSAQUQSDPQATJS-UHFFFAOYSA-N
MW316.16 g/mol
LogP3.16
Rot. Bonds2

About 3-amino-4-bromo-N-(4-cyanophenyl)benzamide

3-amino-4-bromo-N-(4-cyanophenyl)benzamide (PubChem CID 61091150) has the molecular formula C14H10BrN3O and a molecular weight of 316.16 g/mol. Its IUPAC name is 3-amino-4-bromo-N-(4-cyanophenyl)benzamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-(4-cyanophenyl)benzamide
PubChem CID61091150
Molecular FormulaC14H10BrN3O
Molecular Weight316.16 g/mol
Exact Mass315.00
IUPAC Name3-amino-4-bromo-N-(4-cyanophenyl)benzamide
SMILESN#Cc1ccc(NC(=O)c2ccc(Br)c(N)c2)cc1
InChIInChI=1S/C14H10BrN3O/c15-12-6-3-10(7-13(12)17)14(19)18-11-4-1-9(8-16)2-5-11/h1-7H,17H2,(H,18,19)
InChIKeyGSAQUQSDPQATJS-UHFFFAOYSA-N
XLogP3.16
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-3-bromophenyl)-4-cyanobenzamide
CID 82861639
4-amino-N-(4-cyanophenyl)-3-nitrobenzamide
CID 60630970
N-(4-cyanophenyl)-4-hydrazinylbenzamide
CID 55052706
3-amino-4-bromo-N-(5-bromo-2-cyanophenyl)benzamide
CID 107796982
3-amino-4-bromo-N-(3-bromophenyl)benzamide
CID 61091693
3-amino-4-bromo-N-(3,4-difluorophenyl)benzamide
CID 61090796
3-amino-4-bromo-N-(3-hydroxyphenyl)benzamide
CID 61166318
3-amino-4-bromo-N-naphthalen-2-ylbenzamide
CID 61116894
4-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049994
3-amino-4-bromo-N-[4-(difluoromethoxy)phenyl]benzamide
CID 61093967
N-(4-cyanophenyl)-3-fluoro-4-methylbenzamide
CID 24694502
N-(4-cyanophenyl)-3-iodo-4-methylbenzamide
CID 3409554

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-(4-cyanophenyl)benzamide?
The IUPAC name of 3-amino-4-bromo-N-(4-cyanophenyl)benzamide (CID 61091150) is 3-amino-4-bromo-N-(4-cyanophenyl)benzamide.
What is the SMILES notation for 3-amino-4-bromo-N-(4-cyanophenyl)benzamide?
The canonical SMILES for 3-amino-4-bromo-N-(4-cyanophenyl)benzamide is N#Cc1ccc(NC(=O)c2ccc(Br)c(N)c2)cc1.
What is the InChIKey of 3-amino-4-bromo-N-(4-cyanophenyl)benzamide?
The InChIKey is GSAQUQSDPQATJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O/c15-12-6-3-10(7-13(12)17)14(19)18-11-4-1-9(8-16)2-5-11/h1-7H,17H2,(H,18,19).
What are the key properties of 3-amino-4-bromo-N-(4-cyanophenyl)benzamide?
3-amino-4-bromo-N-(4-cyanophenyl)benzamide has a molecular weight of 316.16 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-bromo-N-(4-cyanophenyl)benzamide is sourced from PubChem (CID 61091150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).