4-(5-amino-2-chloroanilino)-2-chlorobenzamide

C13H11Cl2N3O — CID 62944720

IUPAC4-(5-amino-2-chloroanilino)-2-chlorobenzamide
SMILESNC(=O)c1ccc(Nc2cc(N)ccc2Cl)cc1Cl
InChIInChI=1S/C13H11Cl2N3O/c14-10-4-1-7(16)5-12(10)18-8-2-3-9(13(17)19)11(15)6-8/h1-6,18H,16H2,(H2,17,19)
InChIKeyDVLJQGFGNHRFFI-UHFFFAOYSA-N
MW296.16 g/mol
LogP3.42
Rot. Bonds3

About 4-(5-amino-2-chloroanilino)-2-chlorobenzamide

4-(5-amino-2-chloroanilino)-2-chlorobenzamide (PubChem CID 62944720) has the molecular formula C13H11Cl2N3O and a molecular weight of 296.16 g/mol. Its IUPAC name is 4-(5-amino-2-chloroanilino)-2-chlorobenzamide.

Molecular Properties

Compound Name4-(5-amino-2-chloroanilino)-2-chlorobenzamide
PubChem CID62944720
Molecular FormulaC13H11Cl2N3O
Molecular Weight296.16 g/mol
Exact Mass295.03
IUPAC Name4-(5-amino-2-chloroanilino)-2-chlorobenzamide
SMILESNC(=O)c1ccc(Nc2cc(N)ccc2Cl)cc1Cl
InChIInChI=1S/C13H11Cl2N3O/c14-10-4-1-7(16)5-12(10)18-8-2-3-9(13(17)19)11(15)6-8/h1-6,18H,16H2,(H2,17,19)
InChIKeyDVLJQGFGNHRFFI-UHFFFAOYSA-N
XLogP3.42
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 53.42
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-(4-carbamoyl-3-chloroanilino)-2-chlorobenzoic acid
CID 62945822
5-chloro-2-(3,4-dichloroanilino)benzamide
CID 141087561
2-(5-amino-2-chloroanilino)-5-nitrobenzamide
CID 61014850
2-chloro-4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]benzamide
CID 168556316
4-(5-amino-2-chloroanilino)-3-fluorobenzamide
CID 54903363
4-amino-2-(4-bromo-3-methoxyanilino)benzamide
CID 82858027
4-amino-N-(3-carbamoyl-4-chlorophenyl)-2-fluorobenzamide
CID 107793937
2-amino-4-(2-chloro-5-fluoroanilino)benzoic acid
CID 107531021
5-amino-2-(3,4-dimethylanilino)benzamide
CID 61307817
4-(3-bromo-4-carbamoylanilino)-2-chlorobenzoic acid
CID 107275398
(5-amino-2-chlorophenyl)carbamic acid
CID 57203171
2-amino-5-(3-chloro-2-fluoroanilino)benzamide
CID 55134954

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-2-chloroanilino)-2-chlorobenzamide?
The IUPAC name of 4-(5-amino-2-chloroanilino)-2-chlorobenzamide (CID 62944720) is 4-(5-amino-2-chloroanilino)-2-chlorobenzamide.
What is the SMILES notation for 4-(5-amino-2-chloroanilino)-2-chlorobenzamide?
The canonical SMILES for 4-(5-amino-2-chloroanilino)-2-chlorobenzamide is NC(=O)c1ccc(Nc2cc(N)ccc2Cl)cc1Cl.
What is the InChIKey of 4-(5-amino-2-chloroanilino)-2-chlorobenzamide?
The InChIKey is DVLJQGFGNHRFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O/c14-10-4-1-7(16)5-12(10)18-8-2-3-9(13(17)19)11(15)6-8/h1-6,18H,16H2,(H2,17,19).
What are the key properties of 4-(5-amino-2-chloroanilino)-2-chlorobenzamide?
4-(5-amino-2-chloroanilino)-2-chlorobenzamide has a molecular weight of 296.16 g/mol, XLogP of 3.42, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-2-chloroanilino)-2-chlorobenzamide is sourced from PubChem (CID 62944720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).