3-amino-2-chloro-N-(2,6-dichloro-4-fluorophenyl)benzamide

C13H8Cl3FN2O — CID 115930651

IUPAC3-amino-2-chloro-N-(2,6-dichloro-4-fluorophenyl)benzamide
SMILESNc1cccc(C(=O)Nc2c(Cl)cc(F)cc2Cl)c1Cl
InChIInChI=1S/C13H8Cl3FN2O/c14-8-4-6(17)5-9(15)12(8)19-13(20)7-2-1-3-10(18)11(7)16/h1-5H,18H2,(H,19,20)
InChIKeyKVTNAYRDQVNXJE-UHFFFAOYSA-N
MW333.58 g/mol
LogP4.62
Rot. Bonds2

About 3-amino-2-chloro-N-(2,6-dichloro-4-fluorophenyl)benzamide

3-amino-2-chloro-N-(2,6-dichloro-4-fluorophenyl)benzamide (PubChem CID 115930651) has the molecular formula C13H8Cl3FN2O and a molecular weight of 333.58 g/mol. Its IUPAC name is 3-amino-2-chloro-N-(2,6-dichloro-4-fluorophenyl)benzamide.

Molecular Properties

Compound Name3-amino-2-chloro-N-(2,6-dichloro-4-fluorophenyl)benzamide
PubChem CID115930651
Molecular FormulaC13H8Cl3FN2O
Molecular Weight333.58 g/mol
Exact Mass331.97
IUPAC Name3-amino-2-chloro-N-(2,6-dichloro-4-fluorophenyl)benzamide
SMILESNc1cccc(C(=O)Nc2c(Cl)cc(F)cc2Cl)c1Cl
InChIInChI=1S/C13H8Cl3FN2O/c14-8-4-6(17)5-9(15)12(8)19-13(20)7-2-1-3-10(18)11(7)16/h1-5H,18H2,(H,19,20)
InChIKeyKVTNAYRDQVNXJE-UHFFFAOYSA-N
XLogP4.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.58
LogP ≤ 54.62
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-chloro-4,6-difluorophenyl)benzamide
CID 115930652
3-amino-2-chloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 112574586
3-amino-N-(4-bromo-2,6-dimethylphenyl)-2-chlorobenzamide
CID 115930129
2-amino-N-(2,6-dichloro-4-fluorophenyl)-4,5-difluorobenzamide
CID 83077757
2-[(2,6-dichloro-4-fluorophenyl)carbamoyl]benzoic acid
CID 83078029
2-amino-N-(2,6-dichloro-4-fluorophenyl)-5-methylbenzamide
CID 83076619
N-(2-chloro-4,6-difluorophenyl)-2,3-difluorobenzamide
CID 82890016
3-amino-2-chloro-N-(5-fluoro-2-pyridinyl)benzamide
CID 112576003
2-bromo-N-(2,6-dichloro-4-fluorophenyl)-3-methylbenzamide
CID 107982593
2-amino-N-(2-chloro-4,6-difluorophenyl)-3-methylbenzamide
CID 83081775
3-amino-2-chloro-N-(2,3-difluorophenyl)benzamide
CID 112575125
3-amino-N-(3-bromo-4-chlorophenyl)-2-chlorobenzamide
CID 112576057

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-N-(2,6-dichloro-4-fluorophenyl)benzamide?
The IUPAC name of 3-amino-2-chloro-N-(2,6-dichloro-4-fluorophenyl)benzamide (CID 115930651) is 3-amino-2-chloro-N-(2,6-dichloro-4-fluorophenyl)benzamide.
What is the SMILES notation for 3-amino-2-chloro-N-(2,6-dichloro-4-fluorophenyl)benzamide?
The canonical SMILES for 3-amino-2-chloro-N-(2,6-dichloro-4-fluorophenyl)benzamide is Nc1cccc(C(=O)Nc2c(Cl)cc(F)cc2Cl)c1Cl.
What is the InChIKey of 3-amino-2-chloro-N-(2,6-dichloro-4-fluorophenyl)benzamide?
The InChIKey is KVTNAYRDQVNXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3FN2O/c14-8-4-6(17)5-9(15)12(8)19-13(20)7-2-1-3-10(18)11(7)16/h1-5H,18H2,(H,19,20).
What are the key properties of 3-amino-2-chloro-N-(2,6-dichloro-4-fluorophenyl)benzamide?
3-amino-2-chloro-N-(2,6-dichloro-4-fluorophenyl)benzamide has a molecular weight of 333.58 g/mol, XLogP of 4.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-chloro-N-(2,6-dichloro-4-fluorophenyl)benzamide is sourced from PubChem (CID 115930651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).