5-amino-2,3-dichloro-N-(2,3-difluorophenyl)benzamide

C13H8Cl2F2N2O — CID 107183805

IUPAC5-amino-2,3-dichloro-N-(2,3-difluorophenyl)benzamide
SMILESNc1cc(Cl)c(Cl)c(C(=O)Nc2cccc(F)c2F)c1
InChIInChI=1S/C13H8Cl2F2N2O/c14-8-5-6(18)4-7(11(8)15)13(20)19-10-3-1-2-9(16)12(10)17/h1-5H,18H2,(H,19,20)
InChIKeyDXOIXNHVSRYHPD-UHFFFAOYSA-N
MW317.12 g/mol
LogP4.11
Rot. Bonds2

About 5-amino-2,3-dichloro-N-(2,3-difluorophenyl)benzamide

5-amino-2,3-dichloro-N-(2,3-difluorophenyl)benzamide (PubChem CID 107183805) has the molecular formula C13H8Cl2F2N2O and a molecular weight of 317.12 g/mol. Its IUPAC name is 5-amino-2,3-dichloro-N-(2,3-difluorophenyl)benzamide.

Molecular Properties

Compound Name5-amino-2,3-dichloro-N-(2,3-difluorophenyl)benzamide
PubChem CID107183805
Molecular FormulaC13H8Cl2F2N2O
Molecular Weight317.12 g/mol
Exact Mass316.00
IUPAC Name5-amino-2,3-dichloro-N-(2,3-difluorophenyl)benzamide
SMILESNc1cc(Cl)c(Cl)c(C(=O)Nc2cccc(F)c2F)c1
InChIInChI=1S/C13H8Cl2F2N2O/c14-8-5-6(18)4-7(11(8)15)13(20)19-10-3-1-2-9(16)12(10)17/h1-5H,18H2,(H,19,20)
InChIKeyDXOIXNHVSRYHPD-UHFFFAOYSA-N
XLogP4.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.12
LogP ≤ 54.11
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-2-chloro-N-(2,3-difluorophenyl)benzamide
CID 112575125
2-amino-4-chloro-N-(2,3-difluorophenyl)benzamide
CID 61074997
5-amino-2,3-dichloro-N-(2,5-difluoro-4-methylphenyl)benzamide
CID 107186123
5-amino-2,3-dichloro-N-(5-fluoro-2-methylphenyl)benzamide
CID 107183212
5-amino-2,3-dichloro-N-(4-fluoro-2-methylphenyl)benzamide
CID 107183229
5-amino-N-(2-chlorophenyl)-2-fluorobenzamide
CID 43510734
5-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-2,3-dichlorobenzamide
CID 107185996
5-amino-2,3-dichloro-N-(2-ethoxyphenyl)benzamide
CID 107183316
5-amino-2,3-dichloro-N-(2-chloro-5-methylphenyl)benzamide
CID 107624082
5-amino-2,3-dichloro-N-[(2-fluorophenyl)methyl]benzamide
CID 107183203
3,5-diamino-N-(3-chloro-2-fluorophenyl)benzamide
CID 61093166
5-amino-2,3-dichloro-N-(6-chloro-2-pyridinyl)benzamide
CID 107185680

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dichloro-N-(2,3-difluorophenyl)benzamide?
The IUPAC name of 5-amino-2,3-dichloro-N-(2,3-difluorophenyl)benzamide (CID 107183805) is 5-amino-2,3-dichloro-N-(2,3-difluorophenyl)benzamide.
What is the SMILES notation for 5-amino-2,3-dichloro-N-(2,3-difluorophenyl)benzamide?
The canonical SMILES for 5-amino-2,3-dichloro-N-(2,3-difluorophenyl)benzamide is Nc1cc(Cl)c(Cl)c(C(=O)Nc2cccc(F)c2F)c1.
What is the InChIKey of 5-amino-2,3-dichloro-N-(2,3-difluorophenyl)benzamide?
The InChIKey is DXOIXNHVSRYHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F2N2O/c14-8-5-6(18)4-7(11(8)15)13(20)19-10-3-1-2-9(16)12(10)17/h1-5H,18H2,(H,19,20).
What are the key properties of 5-amino-2,3-dichloro-N-(2,3-difluorophenyl)benzamide?
5-amino-2,3-dichloro-N-(2,3-difluorophenyl)benzamide has a molecular weight of 317.12 g/mol, XLogP of 4.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-dichloro-N-(2,3-difluorophenyl)benzamide is sourced from PubChem (CID 107183805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).