4-amino-3-(2,6-dichloro-4-fluoroanilino)benzamide

C13H10Cl2FN3O — CID 83076786

IUPAC4-amino-3-(2,6-dichloro-4-fluoroanilino)benzamide
SMILESNC(=O)c1ccc(N)c(Nc2c(Cl)cc(F)cc2Cl)c1
InChIInChI=1S/C13H10Cl2FN3O/c14-8-4-7(16)5-9(15)12(8)19-11-3-6(13(18)20)1-2-10(11)17/h1-5,19H,17H2,(H2,18,20)
InChIKeyVQXKFADQEFZYOG-UHFFFAOYSA-N
MW314.15 g/mol
LogP3.56
Rot. Bonds3

About 4-amino-3-(2,6-dichloro-4-fluoroanilino)benzamide

4-amino-3-(2,6-dichloro-4-fluoroanilino)benzamide (PubChem CID 83076786) has the molecular formula C13H10Cl2FN3O and a molecular weight of 314.15 g/mol. Its IUPAC name is 4-amino-3-(2,6-dichloro-4-fluoroanilino)benzamide.

Molecular Properties

Compound Name4-amino-3-(2,6-dichloro-4-fluoroanilino)benzamide
PubChem CID83076786
Molecular FormulaC13H10Cl2FN3O
Molecular Weight314.15 g/mol
Exact Mass313.02
IUPAC Name4-amino-3-(2,6-dichloro-4-fluoroanilino)benzamide
SMILESNC(=O)c1ccc(N)c(Nc2c(Cl)cc(F)cc2Cl)c1
InChIInChI=1S/C13H10Cl2FN3O/c14-8-4-7(16)5-9(15)12(8)19-11-3-6(13(18)20)1-2-10(11)17/h1-5,19H,17H2,(H2,18,20)
InChIKeyVQXKFADQEFZYOG-UHFFFAOYSA-N
XLogP3.56
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.15
LogP ≤ 53.56
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

4-amino-3-(2,6-dichloroanilino)benzamide
CID 65468318
4-amino-3-(2,6-dibromoanilino)benzamide
CID 107596524
4-amino-3-(4-bromo-2,3-dichloroanilino)benzamide
CID 107787000
4-amino-3-(4-bromoanilino)benzamide
CID 63356088
4-amino-N-(2,6-dichloro-4-fluorophenyl)-3-hydroxybenzamide
CID 107075861
4-amino-3-(2-chloro-4,6-difluoroanilino)benzenesulfonamide
CID 83073033
4-amino-3-(2-bromoanilino)benzamide
CID 55191226
5-amino-3-chloro-2-(2-chloro-4-fluoroanilino)benzamide
CID 107192270
3-[(2,6-dichloro-4-fluoroanilino)methyl]benzamide
CID 83077384
4-amino-3-(3-iodoanilino)benzamide
CID 63355912
3-amino-N-(2,6-dichloro-4-fluorophenyl)-4-fluorobenzamide
CID 83076280
4-amino-3-(propan-2-ylamino)benzamide
CID 63355740

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2,6-dichloro-4-fluoroanilino)benzamide?
The IUPAC name of 4-amino-3-(2,6-dichloro-4-fluoroanilino)benzamide (CID 83076786) is 4-amino-3-(2,6-dichloro-4-fluoroanilino)benzamide.
What is the SMILES notation for 4-amino-3-(2,6-dichloro-4-fluoroanilino)benzamide?
The canonical SMILES for 4-amino-3-(2,6-dichloro-4-fluoroanilino)benzamide is NC(=O)c1ccc(N)c(Nc2c(Cl)cc(F)cc2Cl)c1.
What is the InChIKey of 4-amino-3-(2,6-dichloro-4-fluoroanilino)benzamide?
The InChIKey is VQXKFADQEFZYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FN3O/c14-8-4-7(16)5-9(15)12(8)19-11-3-6(13(18)20)1-2-10(11)17/h1-5,19H,17H2,(H2,18,20).
What are the key properties of 4-amino-3-(2,6-dichloro-4-fluoroanilino)benzamide?
4-amino-3-(2,6-dichloro-4-fluoroanilino)benzamide has a molecular weight of 314.15 g/mol, XLogP of 3.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2,6-dichloro-4-fluoroanilino)benzamide is sourced from PubChem (CID 83076786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).