2-amino-N-(2,6-dichloro-4-fluorophenyl)-5-methylbenzamide

C14H11Cl2FN2O — CID 83076619

IUPAC2-amino-N-(2,6-dichloro-4-fluorophenyl)-5-methylbenzamide
SMILESCc1ccc(N)c(C(=O)Nc2c(Cl)cc(F)cc2Cl)c1
InChIInChI=1S/C14H11Cl2FN2O/c1-7-2-3-12(18)9(4-7)14(20)19-13-10(15)5-8(17)6-11(13)16/h2-6H,18H2,1H3,(H,19,20)
InChIKeyUGRJYICBLWSQSF-UHFFFAOYSA-N
MW313.16 g/mol
LogP4.28
Rot. Bonds2

About 2-amino-N-(2,6-dichloro-4-fluorophenyl)-5-methylbenzamide

2-amino-N-(2,6-dichloro-4-fluorophenyl)-5-methylbenzamide (PubChem CID 83076619) has the molecular formula C14H11Cl2FN2O and a molecular weight of 313.16 g/mol. Its IUPAC name is 2-amino-N-(2,6-dichloro-4-fluorophenyl)-5-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(2,6-dichloro-4-fluorophenyl)-5-methylbenzamide
PubChem CID83076619
Molecular FormulaC14H11Cl2FN2O
Molecular Weight313.16 g/mol
Exact Mass312.02
IUPAC Name2-amino-N-(2,6-dichloro-4-fluorophenyl)-5-methylbenzamide
SMILESCc1ccc(N)c(C(=O)Nc2c(Cl)cc(F)cc2Cl)c1
InChIInChI=1S/C14H11Cl2FN2O/c1-7-2-3-12(18)9(4-7)14(20)19-13-10(15)5-8(17)6-11(13)16/h2-6H,18H2,1H3,(H,19,20)
InChIKeyUGRJYICBLWSQSF-UHFFFAOYSA-N
XLogP4.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.16
LogP ≤ 54.28
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

2-amino-5-methyl-N-(2,4,6-trichlorophenyl)benzamide
CID 62510533
2-bromo-N-(2-chloro-4,6-difluorophenyl)-5-methylbenzamide
CID 82889504
2-amino-N-(2,6-dichloro-4-fluorophenyl)-4,5-difluorobenzamide
CID 83077757
2-amino-N-(2,6-difluoro-3-methylphenyl)-5-methylbenzamide
CID 82816475
2-amino-N-(2,6-dimethylphenyl)-5-methylbenzamide
CID 55083036
3-amino-2-chloro-N-(2,6-dichloro-4-fluorophenyl)benzamide
CID 115930651
N-(4-amino-2,6-dichlorophenyl)-2,4-dimethylbenzamide
CID 16772418
2-bromo-N-(2,6-dichloro-4-fluorophenyl)-3-methylbenzamide
CID 107982593
2-amino-N-(5-bromo-2-chlorophenyl)-5-methylbenzamide
CID 62908448
2-amino-N-(2,3-dichlorophenyl)-5-methylbenzamide
CID 62509307
2-amino-N-(4-bromo-2-chlorophenyl)-5-methylbenzamide
CID 62509847
2-amino-N-(4-bromo-2,6-dimethylphenyl)-5-fluorobenzamide
CID 43132657

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,6-dichloro-4-fluorophenyl)-5-methylbenzamide?
The IUPAC name of 2-amino-N-(2,6-dichloro-4-fluorophenyl)-5-methylbenzamide (CID 83076619) is 2-amino-N-(2,6-dichloro-4-fluorophenyl)-5-methylbenzamide.
What is the SMILES notation for 2-amino-N-(2,6-dichloro-4-fluorophenyl)-5-methylbenzamide?
The canonical SMILES for 2-amino-N-(2,6-dichloro-4-fluorophenyl)-5-methylbenzamide is Cc1ccc(N)c(C(=O)Nc2c(Cl)cc(F)cc2Cl)c1.
What is the InChIKey of 2-amino-N-(2,6-dichloro-4-fluorophenyl)-5-methylbenzamide?
The InChIKey is UGRJYICBLWSQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FN2O/c1-7-2-3-12(18)9(4-7)14(20)19-13-10(15)5-8(17)6-11(13)16/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of 2-amino-N-(2,6-dichloro-4-fluorophenyl)-5-methylbenzamide?
2-amino-N-(2,6-dichloro-4-fluorophenyl)-5-methylbenzamide has a molecular weight of 313.16 g/mol, XLogP of 4.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,6-dichloro-4-fluorophenyl)-5-methylbenzamide is sourced from PubChem (CID 83076619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).