5-amino-N-cyclopropyl-2-(2,3-dichloroanilino)benzamide

C16H15Cl2N3O — CID 100647091

IUPAC5-amino-N-cyclopropyl-2-(2,3-dichloroanilino)benzamide
SMILESNc1ccc(Nc2cccc(Cl)c2Cl)c(C(=O)NC2CC2)c1
InChIInChI=1S/C16H15Cl2N3O/c17-12-2-1-3-14(15(12)18)21-13-7-4-9(19)8-11(13)16(22)20-10-5-6-10/h1-4,7-8,10,21H,5-6,19H2,(H,20,22)
InChIKeyJSDZRHFTWFKJPX-UHFFFAOYSA-N
MW336.22 g/mol
LogP4.21
Rot. Bonds4

About 5-amino-N-cyclopropyl-2-(2,3-dichloroanilino)benzamide

5-amino-N-cyclopropyl-2-(2,3-dichloroanilino)benzamide (PubChem CID 100647091) has the molecular formula C16H15Cl2N3O and a molecular weight of 336.22 g/mol. Its IUPAC name is 5-amino-N-cyclopropyl-2-(2,3-dichloroanilino)benzamide.

Molecular Properties

Compound Name5-amino-N-cyclopropyl-2-(2,3-dichloroanilino)benzamide
PubChem CID100647091
Molecular FormulaC16H15Cl2N3O
Molecular Weight336.22 g/mol
Exact Mass335.06
IUPAC Name5-amino-N-cyclopropyl-2-(2,3-dichloroanilino)benzamide
SMILESNc1ccc(Nc2cccc(Cl)c2Cl)c(C(=O)NC2CC2)c1
InChIInChI=1S/C16H15Cl2N3O/c17-12-2-1-3-14(15(12)18)21-13-7-4-9(19)8-11(13)16(22)20-10-5-6-10/h1-4,7-8,10,21H,5-6,19H2,(H,20,22)
InChIKeyJSDZRHFTWFKJPX-UHFFFAOYSA-N
XLogP4.21
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.22
LogP ≤ 54.21
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

5-amino-N-cyclopropyl-2-(4-propan-2-ylanilino)benzamide
CID 100644281
5-amino-2-(tert-butylamino)-N-cyclopropylbenzamide
CID 100639323
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CID 16796108
5-amino-N-cyclopropyl-2-(propylamino)benzamide
CID 100638190
5-amino-N-(4-carbamoylcyclohexyl)-2-methylbenzamide
CID 61291951
N-cyclopropyl-6-(2,3-dichloroanilino)-2-methylpyrimidine-4-carboxamide
CID 109361144
methyl 5-amino-2-(2-chloroanilino)benzoate
CID 61305288
3-N-cyclopentyl-1-N-(2,3-dichlorophenyl)benzene-1,3-dicarboxamide
CID 109051954
5-amino-N-(4-carbamoylcyclohexyl)-2-methoxybenzamide
CID 61125956
4-N-(2,3-dichlorophenyl)benzene-1,4-diamine
CID 4764118
4-amino-2-chloro-N-(oxan-4-yl)benzamide;hydrochloride
CID 119724858
5-amino-2-chloro-N-(thiolan-3-yl)benzamide
CID 103062189

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-cyclopropyl-2-(2,3-dichloroanilino)benzamide?
The IUPAC name of 5-amino-N-cyclopropyl-2-(2,3-dichloroanilino)benzamide (CID 100647091) is 5-amino-N-cyclopropyl-2-(2,3-dichloroanilino)benzamide.
What is the SMILES notation for 5-amino-N-cyclopropyl-2-(2,3-dichloroanilino)benzamide?
The canonical SMILES for 5-amino-N-cyclopropyl-2-(2,3-dichloroanilino)benzamide is Nc1ccc(Nc2cccc(Cl)c2Cl)c(C(=O)NC2CC2)c1.
What is the InChIKey of 5-amino-N-cyclopropyl-2-(2,3-dichloroanilino)benzamide?
The InChIKey is JSDZRHFTWFKJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O/c17-12-2-1-3-14(15(12)18)21-13-7-4-9(19)8-11(13)16(22)20-10-5-6-10/h1-4,7-8,10,21H,5-6,19H2,(H,20,22).
What are the key properties of 5-amino-N-cyclopropyl-2-(2,3-dichloroanilino)benzamide?
5-amino-N-cyclopropyl-2-(2,3-dichloroanilino)benzamide has a molecular weight of 336.22 g/mol, XLogP of 4.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-cyclopropyl-2-(2,3-dichloroanilino)benzamide is sourced from PubChem (CID 100647091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).