2-amino-4-bromo-N-(2,6-dichloro-3-methylphenyl)benzamide

C14H11BrCl2N2O — CID 79714079

IUPAC2-amino-4-bromo-N-(2,6-dichloro-3-methylphenyl)benzamide
SMILESCc1ccc(Cl)c(NC(=O)c2ccc(Br)cc2N)c1Cl
InChIInChI=1S/C14H11BrCl2N2O/c1-7-2-5-10(16)13(12(7)17)19-14(20)9-4-3-8(15)6-11(9)18/h2-6H,18H2,1H3,(H,19,20)
InChIKeyIQOHHNXEAMBRQZ-UHFFFAOYSA-N
MW374.07 g/mol
LogP4.90
Rot. Bonds2

About 2-amino-4-bromo-N-(2,6-dichloro-3-methylphenyl)benzamide

2-amino-4-bromo-N-(2,6-dichloro-3-methylphenyl)benzamide (PubChem CID 79714079) has the molecular formula C14H11BrCl2N2O and a molecular weight of 374.07 g/mol. Its IUPAC name is 2-amino-4-bromo-N-(2,6-dichloro-3-methylphenyl)benzamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-(2,6-dichloro-3-methylphenyl)benzamide
PubChem CID79714079
Molecular FormulaC14H11BrCl2N2O
Molecular Weight374.07 g/mol
Exact Mass371.94
IUPAC Name2-amino-4-bromo-N-(2,6-dichloro-3-methylphenyl)benzamide
SMILESCc1ccc(Cl)c(NC(=O)c2ccc(Br)cc2N)c1Cl
InChIInChI=1S/C14H11BrCl2N2O/c1-7-2-5-10(16)13(12(7)17)19-14(20)9-4-3-8(15)6-11(9)18/h2-6H,18H2,1H3,(H,19,20)
InChIKeyIQOHHNXEAMBRQZ-UHFFFAOYSA-N
XLogP4.90
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.07
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(2,6-dichloro-3-methylphenyl)-2-sulfanylbenzamide
CID 107019931
2-amino-4-bromo-N-(3-chloro-4-methylphenyl)benzamide
CID 79714244
4-amino-N-(2,6-dichloro-3-methylphenyl)-3-methylbenzamide
CID 29273488
4-amino-N-(2,6-dichloro-3-methylphenyl)-6-methylpyridine-3-carboxamide
CID 81235599
3,5-dibromo-N-(2,6-dichloro-3-methylphenyl)benzamide
CID 107979976
2-amino-4-bromo-N-(2,5-dichlorophenyl)benzamide
CID 79715050
4-amino-3,5-dichloro-N-(2,6-dichloro-3-methylphenyl)benzamide
CID 82811367
2-amino-4-bromo-N-(4-hydroxy-2-methylphenyl)benzamide
CID 79723167
N-(2-amino-4-bromo-6-methylphenyl)-2,4-dichlorobenzamide
CID 43549936
5-amino-N-(5-bromo-2-chlorophenyl)-2,4-dimethylbenzamide
CID 102705529
N-(5-amino-2-methylphenyl)-5-bromo-2-chlorobenzamide
CID 43378791
3-amino-5-bromo-N-(2-chloro-6-methylphenyl)-2-methylbenzamide
CID 107872903

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-(2,6-dichloro-3-methylphenyl)benzamide?
The IUPAC name of 2-amino-4-bromo-N-(2,6-dichloro-3-methylphenyl)benzamide (CID 79714079) is 2-amino-4-bromo-N-(2,6-dichloro-3-methylphenyl)benzamide.
What is the SMILES notation for 2-amino-4-bromo-N-(2,6-dichloro-3-methylphenyl)benzamide?
The canonical SMILES for 2-amino-4-bromo-N-(2,6-dichloro-3-methylphenyl)benzamide is Cc1ccc(Cl)c(NC(=O)c2ccc(Br)cc2N)c1Cl.
What is the InChIKey of 2-amino-4-bromo-N-(2,6-dichloro-3-methylphenyl)benzamide?
The InChIKey is IQOHHNXEAMBRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2N2O/c1-7-2-5-10(16)13(12(7)17)19-14(20)9-4-3-8(15)6-11(9)18/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of 2-amino-4-bromo-N-(2,6-dichloro-3-methylphenyl)benzamide?
2-amino-4-bromo-N-(2,6-dichloro-3-methylphenyl)benzamide has a molecular weight of 374.07 g/mol, XLogP of 4.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-(2,6-dichloro-3-methylphenyl)benzamide is sourced from PubChem (CID 79714079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).