5-amino-N-(4-bromo-2-cyanophenyl)-2,3-dichlorobenzamide

C14H8BrCl2N3O — CID 107185689

IUPAC5-amino-N-(4-bromo-2-cyanophenyl)-2,3-dichlorobenzamide
SMILESN#Cc1cc(Br)ccc1NC(=O)c1cc(N)cc(Cl)c1Cl
InChIInChI=1S/C14H8BrCl2N3O/c15-8-1-2-12(7(3-8)6-18)20-14(21)10-4-9(19)5-11(16)13(10)17/h1-5H,19H2,(H,20,21)
InChIKeyXROPCTZCNVSMAN-UHFFFAOYSA-N
MW385.05 g/mol
LogP4.46
Rot. Bonds2

About 5-amino-N-(4-bromo-2-cyanophenyl)-2,3-dichlorobenzamide

5-amino-N-(4-bromo-2-cyanophenyl)-2,3-dichlorobenzamide (PubChem CID 107185689) has the molecular formula C14H8BrCl2N3O and a molecular weight of 385.05 g/mol. Its IUPAC name is 5-amino-N-(4-bromo-2-cyanophenyl)-2,3-dichlorobenzamide.

Molecular Properties

Compound Name5-amino-N-(4-bromo-2-cyanophenyl)-2,3-dichlorobenzamide
PubChem CID107185689
Molecular FormulaC14H8BrCl2N3O
Molecular Weight385.05 g/mol
Exact Mass382.92
IUPAC Name5-amino-N-(4-bromo-2-cyanophenyl)-2,3-dichlorobenzamide
SMILESN#Cc1cc(Br)ccc1NC(=O)c1cc(N)cc(Cl)c1Cl
InChIInChI=1S/C14H8BrCl2N3O/c15-8-1-2-12(7(3-8)6-18)20-14(21)10-4-9(19)5-11(16)13(10)17/h1-5H,19H2,(H,20,21)
InChIKeyXROPCTZCNVSMAN-UHFFFAOYSA-N
XLogP4.46
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.05
LogP ≤ 54.46
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

5-amino-N-(2-bromo-4-cyanophenyl)-2,3-dichlorobenzamide
CID 107796812
3-amino-N-(4-bromo-2-cyanophenyl)-4,5-dichlorobenzamide
CID 82692123
N-(4-amino-2-cyanophenyl)-2,5-dibromobenzamide
CID 114367683
2,4-diamino-N-(4-bromo-2-cyanophenyl)benzamide
CID 82702808
4-amino-N-(5-bromo-2-cyanophenyl)-2-chlorobenzamide
CID 107796924
4-bromo-N-(4-bromo-2-cyanophenyl)-2-sulfanylbenzamide
CID 107033617
2-bromo-N-(4-bromo-2-cyanophenyl)-5-sulfanylbenzamide
CID 107033611
(4-bromo-2-cyanophenyl)urea
CID 82708837
2-amino-5-bromo-N-(4-bromo-2-cyanophenyl)pyridine-3-carboxamide
CID 82703881
N-(5-bromo-2-cyanophenyl)-2,3-dichlorobenzamide
CID 104880179
N-(4-amino-2-cyanophenyl)-4-bromobenzamide
CID 43549008
N-(4-amino-2-chlorophenyl)-5-bromo-2-chlorobenzamide
CID 43378801

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-bromo-2-cyanophenyl)-2,3-dichlorobenzamide?
The IUPAC name of 5-amino-N-(4-bromo-2-cyanophenyl)-2,3-dichlorobenzamide (CID 107185689) is 5-amino-N-(4-bromo-2-cyanophenyl)-2,3-dichlorobenzamide.
What is the SMILES notation for 5-amino-N-(4-bromo-2-cyanophenyl)-2,3-dichlorobenzamide?
The canonical SMILES for 5-amino-N-(4-bromo-2-cyanophenyl)-2,3-dichlorobenzamide is N#Cc1cc(Br)ccc1NC(=O)c1cc(N)cc(Cl)c1Cl.
What is the InChIKey of 5-amino-N-(4-bromo-2-cyanophenyl)-2,3-dichlorobenzamide?
The InChIKey is XROPCTZCNVSMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrCl2N3O/c15-8-1-2-12(7(3-8)6-18)20-14(21)10-4-9(19)5-11(16)13(10)17/h1-5H,19H2,(H,20,21).
What are the key properties of 5-amino-N-(4-bromo-2-cyanophenyl)-2,3-dichlorobenzamide?
5-amino-N-(4-bromo-2-cyanophenyl)-2,3-dichlorobenzamide has a molecular weight of 385.05 g/mol, XLogP of 4.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-bromo-2-cyanophenyl)-2,3-dichlorobenzamide is sourced from PubChem (CID 107185689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).