2-amino-N-(2,5-dichloro-4-methylphenyl)-4-fluorobenzamide

C14H11Cl2FN2O — CID 104725738

IUPAC2-amino-N-(2,5-dichloro-4-methylphenyl)-4-fluorobenzamide
SMILESCc1cc(Cl)c(NC(=O)c2ccc(F)cc2N)cc1Cl
InChIInChI=1S/C14H11Cl2FN2O/c1-7-4-11(16)13(6-10(7)15)19-14(20)9-3-2-8(17)5-12(9)18/h2-6H,18H2,1H3,(H,19,20)
InChIKeyMMCGOBNASLRAEV-UHFFFAOYSA-N
MW313.16 g/mol
LogP4.28
Rot. Bonds2

About 2-amino-N-(2,5-dichloro-4-methylphenyl)-4-fluorobenzamide

2-amino-N-(2,5-dichloro-4-methylphenyl)-4-fluorobenzamide (PubChem CID 104725738) has the molecular formula C14H11Cl2FN2O and a molecular weight of 313.16 g/mol. Its IUPAC name is 2-amino-N-(2,5-dichloro-4-methylphenyl)-4-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-(2,5-dichloro-4-methylphenyl)-4-fluorobenzamide
PubChem CID104725738
Molecular FormulaC14H11Cl2FN2O
Molecular Weight313.16 g/mol
Exact Mass312.02
IUPAC Name2-amino-N-(2,5-dichloro-4-methylphenyl)-4-fluorobenzamide
SMILESCc1cc(Cl)c(NC(=O)c2ccc(F)cc2N)cc1Cl
InChIInChI=1S/C14H11Cl2FN2O/c1-7-4-11(16)13(6-10(7)15)19-14(20)9-3-2-8(17)5-12(9)18/h2-6H,18H2,1H3,(H,19,20)
InChIKeyMMCGOBNASLRAEV-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-4-fluoro-N-(2-methylphenyl)benzamide
CID 62060652
5-amino-N-(2,5-dichloro-4-methylphenyl)-2-methylbenzamide
CID 104725719
3-amino-2-bromo-N-(2,5-dichloro-4-methylphenyl)benzamide
CID 104725747
3-amino-N-(2,5-dichloro-4-methylphenyl)-4-fluorobenzamide
CID 104725727
2-amino-4-fluoro-N-(2-fluoro-4-methylphenyl)benzamide
CID 63109760
2-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzamide
CID 104725699
2-amino-N-(2-bromo-3-chlorophenyl)-4-fluorobenzamide
CID 103477086
N-(2,5-dichloro-4-methylphenyl)-4-hydroxy-2-methylbenzamide
CID 107671657
4-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzamide
CID 104725697
5-amino-N-(2-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzamide
CID 103295873
2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-5-fluorobenzamide
CID 104724173
N-(2-amino-4-methylphenyl)-2-chloro-4-fluorobenzamide
CID 43259104

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,5-dichloro-4-methylphenyl)-4-fluorobenzamide?
The IUPAC name of 2-amino-N-(2,5-dichloro-4-methylphenyl)-4-fluorobenzamide (CID 104725738) is 2-amino-N-(2,5-dichloro-4-methylphenyl)-4-fluorobenzamide.
What is the SMILES notation for 2-amino-N-(2,5-dichloro-4-methylphenyl)-4-fluorobenzamide?
The canonical SMILES for 2-amino-N-(2,5-dichloro-4-methylphenyl)-4-fluorobenzamide is Cc1cc(Cl)c(NC(=O)c2ccc(F)cc2N)cc1Cl.
What is the InChIKey of 2-amino-N-(2,5-dichloro-4-methylphenyl)-4-fluorobenzamide?
The InChIKey is MMCGOBNASLRAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FN2O/c1-7-4-11(16)13(6-10(7)15)19-14(20)9-3-2-8(17)5-12(9)18/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of 2-amino-N-(2,5-dichloro-4-methylphenyl)-4-fluorobenzamide?
2-amino-N-(2,5-dichloro-4-methylphenyl)-4-fluorobenzamide 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-(2,5-dichloro-4-methylphenyl)-4-fluorobenzamide is sourced from PubChem (CID 104725738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).