3-amino-4,5-dichloro-N-(2,4-difluorophenyl)benzamide

C13H8Cl2F2N2O — CID 61090403

IUPAC3-amino-4,5-dichloro-N-(2,4-difluorophenyl)benzamide
SMILESNc1cc(C(=O)Nc2ccc(F)cc2F)cc(Cl)c1Cl
InChIInChI=1S/C13H8Cl2F2N2O/c14-8-3-6(4-10(18)12(8)15)13(20)19-11-2-1-7(16)5-9(11)17/h1-5H,18H2,(H,19,20)
InChIKeyYUZAOHNESQNCSF-UHFFFAOYSA-N
MW317.12 g/mol
LogP4.11
Rot. Bonds2

About 3-amino-4,5-dichloro-N-(2,4-difluorophenyl)benzamide

3-amino-4,5-dichloro-N-(2,4-difluorophenyl)benzamide (PubChem CID 61090403) has the molecular formula C13H8Cl2F2N2O and a molecular weight of 317.12 g/mol. Its IUPAC name is 3-amino-4,5-dichloro-N-(2,4-difluorophenyl)benzamide.

Molecular Properties

Compound Name3-amino-4,5-dichloro-N-(2,4-difluorophenyl)benzamide
PubChem CID61090403
Molecular FormulaC13H8Cl2F2N2O
Molecular Weight317.12 g/mol
Exact Mass316.00
IUPAC Name3-amino-4,5-dichloro-N-(2,4-difluorophenyl)benzamide
SMILESNc1cc(C(=O)Nc2ccc(F)cc2F)cc(Cl)c1Cl
InChIInChI=1S/C13H8Cl2F2N2O/c14-8-3-6(4-10(18)12(8)15)13(20)19-11-2-1-7(16)5-9(11)17/h1-5H,18H2,(H,19,20)
InChIKeyYUZAOHNESQNCSF-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-4,5-dichloro-N-(2,4,5-trifluorophenyl)benzamide
CID 62815869
3-amino-N-(2-bromo-5-fluorophenyl)-4,5-dichlorobenzamide
CID 107624291
3-amino-2,6-dichloro-N-(2,4-difluorophenyl)benzamide
CID 134417761
1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 3596826
2,6-dichloro-N-(2,4-difluorophenyl)pyridine-4-carboxamide
CID 26722050
3-amino-N-(2,4-difluorophenyl)-4-methylbenzamide
CID 16784210
3-amino-4,5-dichloro-N-(5-fluoro-2-pyridinyl)benzamide
CID 65480857
N-(2,4-difluorophenyl)-3,5-dihydroxybenzamide
CID 103891425
2-amino-5-chloro-N-(2,4-difluorophenyl)benzamide
CID 16796170
3-amino-N-(5-bromo-2-chlorophenyl)-4,5-dichlorobenzamide
CID 62915199
3-amino-4,5-dichloro-N-(2-methylphenyl)benzamide
CID 61090802
3-amino-4,5-dichloro-N-(4-iodophenyl)benzamide
CID 61094545

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,5-dichloro-N-(2,4-difluorophenyl)benzamide?
The IUPAC name of 3-amino-4,5-dichloro-N-(2,4-difluorophenyl)benzamide (CID 61090403) is 3-amino-4,5-dichloro-N-(2,4-difluorophenyl)benzamide.
What is the SMILES notation for 3-amino-4,5-dichloro-N-(2,4-difluorophenyl)benzamide?
The canonical SMILES for 3-amino-4,5-dichloro-N-(2,4-difluorophenyl)benzamide is Nc1cc(C(=O)Nc2ccc(F)cc2F)cc(Cl)c1Cl.
What is the InChIKey of 3-amino-4,5-dichloro-N-(2,4-difluorophenyl)benzamide?
The InChIKey is YUZAOHNESQNCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F2N2O/c14-8-3-6(4-10(18)12(8)15)13(20)19-11-2-1-7(16)5-9(11)17/h1-5H,18H2,(H,19,20).
What are the key properties of 3-amino-4,5-dichloro-N-(2,4-difluorophenyl)benzamide?
3-amino-4,5-dichloro-N-(2,4-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 3-amino-4,5-dichloro-N-(2,4-difluorophenyl)benzamide is sourced from PubChem (CID 61090403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).