2-amino-4-chloro-N-(2,4-dibromophenyl)benzamide

C13H9Br2ClN2O — CID 61471749

IUPAC2-amino-4-chloro-N-(2,4-dibromophenyl)benzamide
SMILESNc1cc(Cl)ccc1C(=O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C13H9Br2ClN2O/c14-7-1-4-12(10(15)5-7)18-13(19)9-3-2-8(16)6-11(9)17/h1-6H,17H2,(H,18,19)
InChIKeyMMQDJYQYLYSCMS-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.70
Rot. Bonds2

About 2-amino-4-chloro-N-(2,4-dibromophenyl)benzamide

2-amino-4-chloro-N-(2,4-dibromophenyl)benzamide (PubChem CID 61471749) has the molecular formula C13H9Br2ClN2O and a molecular weight of 404.49 g/mol. Its IUPAC name is 2-amino-4-chloro-N-(2,4-dibromophenyl)benzamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-(2,4-dibromophenyl)benzamide
PubChem CID61471749
Molecular FormulaC13H9Br2ClN2O
Molecular Weight404.49 g/mol
Exact Mass401.88
IUPAC Name2-amino-4-chloro-N-(2,4-dibromophenyl)benzamide
SMILESNc1cc(Cl)ccc1C(=O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C13H9Br2ClN2O/c14-7-1-4-12(10(15)5-7)18-13(19)9-3-2-8(16)6-11(9)17/h1-6H,17H2,(H,18,19)
InChIKeyMMQDJYQYLYSCMS-UHFFFAOYSA-N
XLogP4.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.70
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

2-amino-4-bromo-N-(2-bromo-4-chlorophenyl)benzamide
CID 81263873
2-amino-4-bromo-N-(2,5-dichlorophenyl)benzamide
CID 79715050
2-amino-N-(2-bromo-4-chlorophenyl)benzamide
CID 81262559
2-amino-N-(4-bromo-2-nitrophenyl)-4-chlorobenzamide
CID 63110574
4-[(2-amino-4-bromobenzoyl)amino]-3-bromobenzoic acid
CID 79705701
2,4-dibromo-N-(2-bromo-5-chlorophenyl)benzamide
CID 114018389
2-amino-4-chloro-N-(2,5-dichlorophenyl)benzamide
CID 29037738
4-bromo-N-(2,4-dibromophenyl)-2-fluorobenzamide
CID 26691585
5-amino-N-(2-bromo-4-chlorophenyl)-2,4-dimethylbenzamide
CID 102705790
N-(2-amino-5-chlorophenyl)-2,5-dibromobenzamide
CID 114367618
2-bromo-N-(4-bromo-2-chlorophenyl)-4-chlorobenzamide
CID 113257224
2-amino-N-(2-bromo-4-chlorophenyl)-5-methylbenzamide
CID 81262086

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-(2,4-dibromophenyl)benzamide?
The IUPAC name of 2-amino-4-chloro-N-(2,4-dibromophenyl)benzamide (CID 61471749) is 2-amino-4-chloro-N-(2,4-dibromophenyl)benzamide.
What is the SMILES notation for 2-amino-4-chloro-N-(2,4-dibromophenyl)benzamide?
The canonical SMILES for 2-amino-4-chloro-N-(2,4-dibromophenyl)benzamide is Nc1cc(Cl)ccc1C(=O)Nc1ccc(Br)cc1Br.
What is the InChIKey of 2-amino-4-chloro-N-(2,4-dibromophenyl)benzamide?
The InChIKey is MMQDJYQYLYSCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2ClN2O/c14-7-1-4-12(10(15)5-7)18-13(19)9-3-2-8(16)6-11(9)17/h1-6H,17H2,(H,18,19).
What are the key properties of 2-amino-4-chloro-N-(2,4-dibromophenyl)benzamide?
2-amino-4-chloro-N-(2,4-dibromophenyl)benzamide has a molecular weight of 404.49 g/mol, XLogP of 4.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-(2,4-dibromophenyl)benzamide is sourced from PubChem (CID 61471749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).