3-amino-4-(2,5-dichloroanilino)-N-methylbenzamide

C14H13Cl2N3O — CID 82989111

IUPAC3-amino-4-(2,5-dichloroanilino)-N-methylbenzamide
SMILESCNC(=O)c1ccc(Nc2cc(Cl)ccc2Cl)c(N)c1
InChIInChI=1S/C14H13Cl2N3O/c1-18-14(20)8-2-5-12(11(17)6-8)19-13-7-9(15)3-4-10(13)16/h2-7,19H,17H2,1H3,(H,18,20)
InChIKeyZBUPCVOHBMAZRZ-UHFFFAOYSA-N
MW310.18 g/mol
LogP3.68
Rot. Bonds3

About 3-amino-4-(2,5-dichloroanilino)-N-methylbenzamide

3-amino-4-(2,5-dichloroanilino)-N-methylbenzamide (PubChem CID 82989111) has the molecular formula C14H13Cl2N3O and a molecular weight of 310.18 g/mol. Its IUPAC name is 3-amino-4-(2,5-dichloroanilino)-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-4-(2,5-dichloroanilino)-N-methylbenzamide
PubChem CID82989111
Molecular FormulaC14H13Cl2N3O
Molecular Weight310.18 g/mol
Exact Mass309.04
IUPAC Name3-amino-4-(2,5-dichloroanilino)-N-methylbenzamide
SMILESCNC(=O)c1ccc(Nc2cc(Cl)ccc2Cl)c(N)c1
InChIInChI=1S/C14H13Cl2N3O/c1-18-14(20)8-2-5-12(11(17)6-8)19-13-7-9(15)3-4-10(13)16/h2-7,19H,17H2,1H3,(H,18,20)
InChIKeyZBUPCVOHBMAZRZ-UHFFFAOYSA-N
XLogP3.68
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 53.68
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

3-amino-4-(2,4-dichloroanilino)-N-methylbenzamide
CID 82988433
3-amino-4-(2,5-dichloroanilino)benzamide
CID 43448380
3-amino-4-(2,5-dichloroanilino)benzoic acid
CID 54888772
3-amino-4-(3-chloro-2-fluoroanilino)-N-methylbenzamide
CID 82988504
4-amino-3-(4-chloro-2-iodoanilino)-N-methylbenzamide
CID 107634125
3-amino-4-(2,3-difluoroanilino)-N-methylbenzamide
CID 82988443
3-amino-4-[1-(4-chlorophenyl)ethylamino]-N-methylbenzamide
CID 82991478
3-amino-4-chloro-N-(2,4-dichlorophenyl)benzamide
CID 20551991
3-amino-4-(3,4-dimethylanilino)-N-methylbenzamide
CID 82988904
3-amino-4-(2-bromo-5-fluoroanilino)-N-methylbenzamide
CID 107634382
3-amino-4-(3,4-dichloroanilino)-N-propylbenzamide
CID 100628453
ethyl 3-amino-4-(5-bromo-2-chloroanilino)benzoate
CID 63423306

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2,5-dichloroanilino)-N-methylbenzamide?
The IUPAC name of 3-amino-4-(2,5-dichloroanilino)-N-methylbenzamide (CID 82989111) is 3-amino-4-(2,5-dichloroanilino)-N-methylbenzamide.
What is the SMILES notation for 3-amino-4-(2,5-dichloroanilino)-N-methylbenzamide?
The canonical SMILES for 3-amino-4-(2,5-dichloroanilino)-N-methylbenzamide is CNC(=O)c1ccc(Nc2cc(Cl)ccc2Cl)c(N)c1.
What is the InChIKey of 3-amino-4-(2,5-dichloroanilino)-N-methylbenzamide?
The InChIKey is ZBUPCVOHBMAZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O/c1-18-14(20)8-2-5-12(11(17)6-8)19-13-7-9(15)3-4-10(13)16/h2-7,19H,17H2,1H3,(H,18,20).
What are the key properties of 3-amino-4-(2,5-dichloroanilino)-N-methylbenzamide?
3-amino-4-(2,5-dichloroanilino)-N-methylbenzamide has a molecular weight of 310.18 g/mol, XLogP of 3.68, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2,5-dichloroanilino)-N-methylbenzamide is sourced from PubChem (CID 82989111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).