5-amino-2-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide

C13H8Cl2F2N2O — CID 83080978

IUPAC5-amino-2-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide
SMILESNc1ccc(Cl)c(C(=O)Nc2c(F)cc(F)cc2Cl)c1
InChIInChI=1S/C13H8Cl2F2N2O/c14-9-2-1-7(18)5-8(9)13(20)19-12-10(15)3-6(16)4-11(12)17/h1-5H,18H2,(H,19,20)
InChIKeyPDUYLIGLPGHGMV-UHFFFAOYSA-N
MW317.12 g/mol
LogP4.11
Rot. Bonds2

About 5-amino-2-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide

5-amino-2-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide (PubChem CID 83080978) has the molecular formula C13H8Cl2F2N2O and a molecular weight of 317.12 g/mol. Its IUPAC name is 5-amino-2-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide
PubChem CID83080978
Molecular FormulaC13H8Cl2F2N2O
Molecular Weight317.12 g/mol
Exact Mass316.00
IUPAC Name5-amino-2-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide
SMILESNc1ccc(Cl)c(C(=O)Nc2c(F)cc(F)cc2Cl)c1
InChIInChI=1S/C13H8Cl2F2N2O/c14-9-2-1-7(18)5-8(9)13(20)19-12-10(15)3-6(16)4-11(12)17/h1-5H,18H2,(H,19,20)
InChIKeyPDUYLIGLPGHGMV-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

5-amino-N-(2-chloro-4,6-difluorophenyl)-2,4-difluorobenzamide
CID 83074413
5-amino-2-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzamide
CID 107608774
3-amino-2-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide
CID 115930652
5-amino-2-chloro-N-(2-chloro-4-fluorophenyl)benzamide
CID 29079625
3-amino-4-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide
CID 83081298
4-amino-N-(2-bromo-4,6-difluorophenyl)-2-chlorobenzamide
CID 43168230
N-(2-chloro-4,6-difluorophenyl)-2,3-difluorobenzamide
CID 82890016
2-amino-N-(2-chloro-4,6-difluorophenyl)-3-methylbenzamide
CID 83081775
2-chloro-5-sulfanyl-N-(2,4,6-trifluorophenyl)benzamide
CID 107031496
2-chloro-5-formamido-N-(2,4,6-trifluorophenyl)benzamide
CID 166842286
2-amino-N-(2,6-dichloro-4-fluorophenyl)-4,5-difluorobenzamide
CID 83077757
5-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methoxybenzamide
CID 107608763

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide?
The IUPAC name of 5-amino-2-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide (CID 83080978) is 5-amino-2-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide.
What is the SMILES notation for 5-amino-2-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide?
The canonical SMILES for 5-amino-2-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide is Nc1ccc(Cl)c(C(=O)Nc2c(F)cc(F)cc2Cl)c1.
What is the InChIKey of 5-amino-2-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide?
The InChIKey is PDUYLIGLPGHGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F2N2O/c14-9-2-1-7(18)5-8(9)13(20)19-12-10(15)3-6(16)4-11(12)17/h1-5H,18H2,(H,19,20).
What are the key properties of 5-amino-2-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide?
5-amino-2-chloro-N-(2-chloro-4,6-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-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide is sourced from PubChem (CID 83080978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).