3-amino-2-(2-bromo-5-chloro-4-methylanilino)benzamide

C14H13BrClN3O — CID 104725074

IUPAC3-amino-2-(2-bromo-5-chloro-4-methylanilino)benzamide
SMILESCc1cc(Br)c(Nc2c(N)cccc2C(N)=O)cc1Cl
InChIInChI=1S/C14H13BrClN3O/c1-7-5-9(15)12(6-10(7)16)19-13-8(14(18)20)3-2-4-11(13)17/h2-6,19H,17H2,1H3,(H2,18,20)
InChIKeyJUUKHGSVGFRKSE-UHFFFAOYSA-N
MW354.64 g/mol
LogP3.84
Rot. Bonds3

About 3-amino-2-(2-bromo-5-chloro-4-methylanilino)benzamide

3-amino-2-(2-bromo-5-chloro-4-methylanilino)benzamide (PubChem CID 104725074) has the molecular formula C14H13BrClN3O and a molecular weight of 354.64 g/mol. Its IUPAC name is 3-amino-2-(2-bromo-5-chloro-4-methylanilino)benzamide.

Molecular Properties

Compound Name3-amino-2-(2-bromo-5-chloro-4-methylanilino)benzamide
PubChem CID104725074
Molecular FormulaC14H13BrClN3O
Molecular Weight354.64 g/mol
Exact Mass352.99
IUPAC Name3-amino-2-(2-bromo-5-chloro-4-methylanilino)benzamide
SMILESCc1cc(Br)c(Nc2c(N)cccc2C(N)=O)cc1Cl
InChIInChI=1S/C14H13BrClN3O/c1-7-5-9(15)12(6-10(7)16)19-13-8(14(18)20)3-2-4-11(13)17/h2-6,19H,17H2,1H3,(H2,18,20)
InChIKeyJUUKHGSVGFRKSE-UHFFFAOYSA-N
XLogP3.84
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.64
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-amino-2-(2-bromo-5-chloro-4-methylanilino)benzoate
CID 104725061
2-amino-3-(2-bromo-5-chloro-4-methylanilino)benzoic acid
CID 104725056
3-amino-2-(5-iodo-2-methylanilino)benzamide
CID 114257924
3-amino-2-(2-chloro-4-iodoanilino)benzamide
CID 107607634
3-amino-2-bromo-N-(2,5-dichloro-4-methylphenyl)benzamide
CID 104725747
ethyl 3-amino-2-(2-bromo-5-chloroanilino)benzoate
CID 115935390
3-amino-2-[(2,6-dimethyl-3-pyridinyl)amino]benzamide
CID 112579263
3-amino-2-(3-chloro-4-fluoroanilino)benzamide
CID 112577949
2-(2-bromo-5-chloro-4-methylanilino)-4-chlorobenzenecarbothioamide
CID 104723833
3-amino-2-(3-iodo-4-methylanilino)benzamide
CID 114257938
methyl 3-amino-4-(2-bromo-5-chloro-4-methylanilino)benzoate
CID 104725063
3-amino-2-[2-(dimethylamino)anilino]benzamide
CID 106760653

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-bromo-5-chloro-4-methylanilino)benzamide?
The IUPAC name of 3-amino-2-(2-bromo-5-chloro-4-methylanilino)benzamide (CID 104725074) is 3-amino-2-(2-bromo-5-chloro-4-methylanilino)benzamide.
What is the SMILES notation for 3-amino-2-(2-bromo-5-chloro-4-methylanilino)benzamide?
The canonical SMILES for 3-amino-2-(2-bromo-5-chloro-4-methylanilino)benzamide is Cc1cc(Br)c(Nc2c(N)cccc2C(N)=O)cc1Cl.
What is the InChIKey of 3-amino-2-(2-bromo-5-chloro-4-methylanilino)benzamide?
The InChIKey is JUUKHGSVGFRKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClN3O/c1-7-5-9(15)12(6-10(7)16)19-13-8(14(18)20)3-2-4-11(13)17/h2-6,19H,17H2,1H3,(H2,18,20).
What are the key properties of 3-amino-2-(2-bromo-5-chloro-4-methylanilino)benzamide?
3-amino-2-(2-bromo-5-chloro-4-methylanilino)benzamide has a molecular weight of 354.64 g/mol, XLogP of 3.84, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-bromo-5-chloro-4-methylanilino)benzamide is sourced from PubChem (CID 104725074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).