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

C14H8BrCl2N3O — CID 82692123

IUPAC3-amino-N-(4-bromo-2-cyanophenyl)-4,5-dichlorobenzamide
SMILESN#Cc1cc(Br)ccc1NC(=O)c1cc(N)c(Cl)c(Cl)c1
InChIInChI=1S/C14H8BrCl2N3O/c15-9-1-2-12(8(3-9)6-18)20-14(21)7-4-10(16)13(17)11(19)5-7/h1-5H,19H2,(H,20,21)
InChIKeyDKTTZUAVKCXNTN-UHFFFAOYSA-N
MW385.05 g/mol
LogP4.46
Rot. Bonds2

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

3-amino-N-(4-bromo-2-cyanophenyl)-4,5-dichlorobenzamide (PubChem CID 82692123) has the molecular formula C14H8BrCl2N3O and a molecular weight of 385.05 g/mol. Its IUPAC name is 3-amino-N-(4-bromo-2-cyanophenyl)-4,5-dichlorobenzamide.

Molecular Properties

Compound Name3-amino-N-(4-bromo-2-cyanophenyl)-4,5-dichlorobenzamide
PubChem CID82692123
Molecular FormulaC14H8BrCl2N3O
Molecular Weight385.05 g/mol
Exact Mass382.92
IUPAC Name3-amino-N-(4-bromo-2-cyanophenyl)-4,5-dichlorobenzamide
SMILESN#Cc1cc(Br)ccc1NC(=O)c1cc(N)c(Cl)c(Cl)c1
InChIInChI=1S/C14H8BrCl2N3O/c15-9-1-2-12(8(3-9)6-18)20-14(21)7-4-10(16)13(17)11(19)5-7/h1-5H,19H2,(H,20,21)
InChIKeyDKTTZUAVKCXNTN-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

3-amino-N-(5-bromo-2-chlorophenyl)-4,5-dichlorobenzamide
CID 62915199
5-amino-N-(4-bromo-2-cyanophenyl)-2,3-dichlorobenzamide
CID 107185689
3-amino-N-(4-bromo-2-ethylphenyl)-4,5-dichlorobenzamide
CID 81289576
4-amino-N-(5-bromo-2-cyanophenyl)-3-chlorobenzamide
CID 107796977
N-(4-bromo-2-cyanophenyl)-4-cyanobenzamide
CID 81498291
(4-bromo-2-cyanophenyl)urea
CID 82708837
N-(4-amino-2-cyanophenyl)-4-bromobenzamide
CID 43549008
2,4-diamino-N-(4-bromo-2-cyanophenyl)benzamide
CID 82702808
3-amino-N-(2-bromo-5-fluorophenyl)-4,5-dichlorobenzamide
CID 107624291
2-amino-N-(4-bromo-2-cyanophenyl)pyridine-4-carboxamide
CID 82704028
N-(4-bromo-2-cyanophenyl)-2-chloro-6-fluorobenzamide
CID 82707621
4-amino-N-(4-bromo-2-cyanophenyl)-3-methoxybenzamide
CID 104783168

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-bromo-2-cyanophenyl)-4,5-dichlorobenzamide?
The IUPAC name of 3-amino-N-(4-bromo-2-cyanophenyl)-4,5-dichlorobenzamide (CID 82692123) is 3-amino-N-(4-bromo-2-cyanophenyl)-4,5-dichlorobenzamide.
What is the SMILES notation for 3-amino-N-(4-bromo-2-cyanophenyl)-4,5-dichlorobenzamide?
The canonical SMILES for 3-amino-N-(4-bromo-2-cyanophenyl)-4,5-dichlorobenzamide is N#Cc1cc(Br)ccc1NC(=O)c1cc(N)c(Cl)c(Cl)c1.
What is the InChIKey of 3-amino-N-(4-bromo-2-cyanophenyl)-4,5-dichlorobenzamide?
The InChIKey is DKTTZUAVKCXNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrCl2N3O/c15-9-1-2-12(8(3-9)6-18)20-14(21)7-4-10(16)13(17)11(19)5-7/h1-5H,19H2,(H,20,21).
What are the key properties of 3-amino-N-(4-bromo-2-cyanophenyl)-4,5-dichlorobenzamide?
3-amino-N-(4-bromo-2-cyanophenyl)-4,5-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 3-amino-N-(4-bromo-2-cyanophenyl)-4,5-dichlorobenzamide is sourced from PubChem (CID 82692123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).