3-amino-4-chloro-N-(2,4-dichlorophenyl)benzamide

C13H9Cl3N2O — CID 20551991

IUPAC3-amino-4-chloro-N-(2,4-dichlorophenyl)benzamide
SMILESNc1cc(C(=O)Nc2ccc(Cl)cc2Cl)ccc1Cl
InChIInChI=1S/C13H9Cl3N2O/c14-8-2-4-12(10(16)6-8)18-13(19)7-1-3-9(15)11(17)5-7/h1-6H,17H2,(H,18,19)
InChIKeyXHQUCTAUDMGISM-UHFFFAOYSA-N
MW315.59 g/mol
LogP4.48
Rot. Bonds2

About 3-amino-4-chloro-N-(2,4-dichlorophenyl)benzamide

3-amino-4-chloro-N-(2,4-dichlorophenyl)benzamide (PubChem CID 20551991) has the molecular formula C13H9Cl3N2O and a molecular weight of 315.59 g/mol. Its IUPAC name is 3-amino-4-chloro-N-(2,4-dichlorophenyl)benzamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-(2,4-dichlorophenyl)benzamide
PubChem CID20551991
Molecular FormulaC13H9Cl3N2O
Molecular Weight315.59 g/mol
Exact Mass313.98
IUPAC Name3-amino-4-chloro-N-(2,4-dichlorophenyl)benzamide
SMILESNc1cc(C(=O)Nc2ccc(Cl)cc2Cl)ccc1Cl
InChIInChI=1S/C13H9Cl3N2O/c14-8-2-4-12(10(16)6-8)18-13(19)7-1-3-9(15)11(17)5-7/h1-6H,17H2,(H,18,19)
InChIKeyXHQUCTAUDMGISM-UHFFFAOYSA-N
XLogP4.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.59
LogP ≤ 54.48
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

3-amino-4-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 28967462
3-amino-4-chloro-N-(2,3,4-trifluorophenyl)benzamide
CID 28722870
3-amino-4-chloro-N-(2,4-dimethylphenyl)benzamide
CID 16782790
3-amino-4-chloro-N-(2-chloro-5-fluorophenyl)benzamide
CID 107526592
4-tert-butyl-N-(2,4-dichlorophenyl)benzamide
CID 773784
N-(2-amino-4-chlorophenyl)-4-bromo-3-chlorobenzamide
CID 81290030
2,4-diamino-N-(2,4-dichlorophenyl)benzamide
CID 61091411
4-amino-N-(4-amino-2-chlorophenyl)benzamide
CID 577458
3-amino-4-(2,4-dichloroanilino)-N-methylbenzamide
CID 82988433
3-bromo-N-(2,4-dichlorophenyl)-4-methylbenzamide
CID 1297695
2-[(3-amino-4-chlorobenzoyl)amino]-5-fluorobenzoic acid
CID 61157769
N-(2-amino-5-chlorophenyl)-4-chlorobenzamide
CID 16771665

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-(2,4-dichlorophenyl)benzamide?
The IUPAC name of 3-amino-4-chloro-N-(2,4-dichlorophenyl)benzamide (CID 20551991) is 3-amino-4-chloro-N-(2,4-dichlorophenyl)benzamide.
What is the SMILES notation for 3-amino-4-chloro-N-(2,4-dichlorophenyl)benzamide?
The canonical SMILES for 3-amino-4-chloro-N-(2,4-dichlorophenyl)benzamide is Nc1cc(C(=O)Nc2ccc(Cl)cc2Cl)ccc1Cl.
What is the InChIKey of 3-amino-4-chloro-N-(2,4-dichlorophenyl)benzamide?
The InChIKey is XHQUCTAUDMGISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3N2O/c14-8-2-4-12(10(16)6-8)18-13(19)7-1-3-9(15)11(17)5-7/h1-6H,17H2,(H,18,19).
What are the key properties of 3-amino-4-chloro-N-(2,4-dichlorophenyl)benzamide?
3-amino-4-chloro-N-(2,4-dichlorophenyl)benzamide has a molecular weight of 315.59 g/mol, XLogP of 4.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-(2,4-dichlorophenyl)benzamide is sourced from PubChem (CID 20551991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).