4-amino-3-(4-bromo-2,3-dichloroanilino)benzamide

C13H10BrCl2N3O — CID 107787000

IUPAC4-amino-3-(4-bromo-2,3-dichloroanilino)benzamide
SMILESNC(=O)c1ccc(N)c(Nc2ccc(Br)c(Cl)c2Cl)c1
InChIInChI=1S/C13H10BrCl2N3O/c14-7-2-4-9(12(16)11(7)15)19-10-5-6(13(18)20)1-3-8(10)17/h1-5,19H,17H2,(H2,18,20)
InChIKeyOLLXHEZGTOFQEV-UHFFFAOYSA-N
MW375.05 g/mol
LogP4.18
Rot. Bonds3

About 4-amino-3-(4-bromo-2,3-dichloroanilino)benzamide

4-amino-3-(4-bromo-2,3-dichloroanilino)benzamide (PubChem CID 107787000) has the molecular formula C13H10BrCl2N3O and a molecular weight of 375.05 g/mol. Its IUPAC name is 4-amino-3-(4-bromo-2,3-dichloroanilino)benzamide.

Molecular Properties

Compound Name4-amino-3-(4-bromo-2,3-dichloroanilino)benzamide
PubChem CID107787000
Molecular FormulaC13H10BrCl2N3O
Molecular Weight375.05 g/mol
Exact Mass372.94
IUPAC Name4-amino-3-(4-bromo-2,3-dichloroanilino)benzamide
SMILESNC(=O)c1ccc(N)c(Nc2ccc(Br)c(Cl)c2Cl)c1
InChIInChI=1S/C13H10BrCl2N3O/c14-7-2-4-9(12(16)11(7)15)19-10-5-6(13(18)20)1-3-8(10)17/h1-5,19H,17H2,(H2,18,20)
InChIKeyOLLXHEZGTOFQEV-UHFFFAOYSA-N
XLogP4.18
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.05
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

methyl 4-amino-3-(4-bromo-2,3-dichloroanilino)benzoate
CID 107792962
4-amino-3-(2-bromoanilino)benzamide
CID 55191226
4-amino-3-(4-bromoanilino)benzamide
CID 63356088
4-amino-3-(2,6-dibromoanilino)benzamide
CID 107596524
4-amino-3-(2-bromo-4-cyanoanilino)benzamide
CID 107787252
4-amino-3-(2,6-dichloroanilino)benzamide
CID 65468318
4-[(4-bromo-2,3-dichloroanilino)methyl]benzamide
CID 104589264
4-amino-3-(2,6-dichloro-4-fluoroanilino)benzamide
CID 83076786
5-amino-2-(4-bromo-2,3-dichloroanilino)-3-chlorobenzamide
CID 107792965
methyl 2-amino-5-(4-bromo-2,3-dichloroanilino)benzoate
CID 107792948
4-amino-3-(2-bromo-4-chloroanilino)-N,N-dimethylbenzamide
CID 81251794
ethyl 4-amino-3-(2-bromo-4-chloroanilino)benzoate
CID 82778304

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-bromo-2,3-dichloroanilino)benzamide?
The IUPAC name of 4-amino-3-(4-bromo-2,3-dichloroanilino)benzamide (CID 107787000) is 4-amino-3-(4-bromo-2,3-dichloroanilino)benzamide.
What is the SMILES notation for 4-amino-3-(4-bromo-2,3-dichloroanilino)benzamide?
The canonical SMILES for 4-amino-3-(4-bromo-2,3-dichloroanilino)benzamide is NC(=O)c1ccc(N)c(Nc2ccc(Br)c(Cl)c2Cl)c1.
What is the InChIKey of 4-amino-3-(4-bromo-2,3-dichloroanilino)benzamide?
The InChIKey is OLLXHEZGTOFQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl2N3O/c14-7-2-4-9(12(16)11(7)15)19-10-5-6(13(18)20)1-3-8(10)17/h1-5,19H,17H2,(H2,18,20).
What are the key properties of 4-amino-3-(4-bromo-2,3-dichloroanilino)benzamide?
4-amino-3-(4-bromo-2,3-dichloroanilino)benzamide has a molecular weight of 375.05 g/mol, XLogP of 4.18, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4-bromo-2,3-dichloroanilino)benzamide is sourced from PubChem (CID 107787000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).