5-amino-2-(5-chloro-2-phenoxyanilino)benzamide

C19H16ClN3O2 — CID 100654576

IUPAC5-amino-2-(5-chloro-2-phenoxyanilino)benzamide
SMILESNC(=O)c1cc(N)ccc1Nc1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C19H16ClN3O2/c20-12-6-9-18(25-14-4-2-1-3-5-14)17(10-12)23-16-8-7-13(21)11-15(16)19(22)24/h1-11,23H,21H2,(H2,22,24)
InChIKeyLMMPHKGCVZCBAU-UHFFFAOYSA-N
MW353.81 g/mol
LogP4.56
Rot. Bonds5

About 5-amino-2-(5-chloro-2-phenoxyanilino)benzamide

5-amino-2-(5-chloro-2-phenoxyanilino)benzamide (PubChem CID 100654576) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 5-amino-2-(5-chloro-2-phenoxyanilino)benzamide.

Molecular Properties

Compound Name5-amino-2-(5-chloro-2-phenoxyanilino)benzamide
PubChem CID100654576
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name5-amino-2-(5-chloro-2-phenoxyanilino)benzamide
SMILESNC(=O)c1cc(N)ccc1Nc1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C19H16ClN3O2/c20-12-6-9-18(25-14-4-2-1-3-5-14)17(10-12)23-16-8-7-13(21)11-15(16)19(22)24/h1-11,23H,21H2,(H2,22,24)
InChIKeyLMMPHKGCVZCBAU-UHFFFAOYSA-N
XLogP4.56
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(5-chloro-2-phenoxyanilino)benzamide?
The IUPAC name of 5-amino-2-(5-chloro-2-phenoxyanilino)benzamide (CID 100654576) is 5-amino-2-(5-chloro-2-phenoxyanilino)benzamide.
What is the SMILES notation for 5-amino-2-(5-chloro-2-phenoxyanilino)benzamide?
The canonical SMILES for 5-amino-2-(5-chloro-2-phenoxyanilino)benzamide is NC(=O)c1cc(N)ccc1Nc1cc(Cl)ccc1Oc1ccccc1.
What is the InChIKey of 5-amino-2-(5-chloro-2-phenoxyanilino)benzamide?
The InChIKey is LMMPHKGCVZCBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c20-12-6-9-18(25-14-4-2-1-3-5-14)17(10-12)23-16-8-7-13(21)11-15(16)19(22)24/h1-11,23H,21H2,(H2,22,24).
What are the key properties of 5-amino-2-(5-chloro-2-phenoxyanilino)benzamide?
5-amino-2-(5-chloro-2-phenoxyanilino)benzamide has a molecular weight of 353.81 g/mol, XLogP of 4.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(5-chloro-2-phenoxyanilino)benzamide is sourced from PubChem (CID 100654576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).