2-amino-N-(2-chloro-6-methylphenyl)-4,5-difluorobenzamide

C14H11ClF2N2O — CID 66251998

IUPAC2-amino-N-(2-chloro-6-methylphenyl)-4,5-difluorobenzamide
SMILESCc1cccc(Cl)c1NC(=O)c1cc(F)c(F)cc1N
InChIInChI=1S/C14H11ClF2N2O/c1-7-3-2-4-9(15)13(7)19-14(20)8-5-10(16)11(17)6-12(8)18/h2-6H,18H2,1H3,(H,19,20)
InChIKeyMONIGLMBQJDTMH-UHFFFAOYSA-N
MW296.70 g/mol
LogP3.76
Rot. Bonds2

About 2-amino-N-(2-chloro-6-methylphenyl)-4,5-difluorobenzamide

2-amino-N-(2-chloro-6-methylphenyl)-4,5-difluorobenzamide (PubChem CID 66251998) has the molecular formula C14H11ClF2N2O and a molecular weight of 296.70 g/mol. Its IUPAC name is 2-amino-N-(2-chloro-6-methylphenyl)-4,5-difluorobenzamide.

Molecular Properties

Compound Name2-amino-N-(2-chloro-6-methylphenyl)-4,5-difluorobenzamide
PubChem CID66251998
Molecular FormulaC14H11ClF2N2O
Molecular Weight296.70 g/mol
Exact Mass296.05
IUPAC Name2-amino-N-(2-chloro-6-methylphenyl)-4,5-difluorobenzamide
SMILESCc1cccc(Cl)c1NC(=O)c1cc(F)c(F)cc1N
InChIInChI=1S/C14H11ClF2N2O/c1-7-3-2-4-9(15)13(7)19-14(20)8-5-10(16)11(17)6-12(8)18/h2-6H,18H2,1H3,(H,19,20)
InChIKeyMONIGLMBQJDTMH-UHFFFAOYSA-N
XLogP3.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.70
LogP ≤ 53.76
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-chloro-N-(2-chloro-6-methylphenyl)-2-fluorobenzamide
CID 66254946
N-(2-chloro-6-methylphenyl)-4-fluoro-2-methylbenzamide
CID 113219145
2-amino-N-(2,6-dichloro-4-fluorophenyl)-4,5-difluorobenzamide
CID 83077757
3-amino-5-bromo-N-(2-chloro-6-methylphenyl)-2-methylbenzamide
CID 107872903
N-(2-chloro-6-methylphenyl)-4-fluoro-2-hydroxybenzamide
CID 103889268
N-(2-chloro-6-methylphenyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 66255840
2-amino-N-(2-bromo-3-chlorophenyl)-4,5-difluorobenzamide
CID 103477239
N-(2-amino-6-methylphenyl)-2-chloro-4-fluorobenzamide
CID 43330061
N-(2-amino-6-chlorophenyl)-2-methylbenzamide
CID 62084781
N-(2-chloro-6-methylphenyl)-4-hydroxy-2-methylbenzamide
CID 103865613
2-amino-N-(2,6-dichlorophenyl)-3-methylbenzamide
CID 65468476
2,6-dichloro-N-(2-chloro-6-methylphenyl)benzamide
CID 4548334

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-chloro-6-methylphenyl)-4,5-difluorobenzamide?
The IUPAC name of 2-amino-N-(2-chloro-6-methylphenyl)-4,5-difluorobenzamide (CID 66251998) is 2-amino-N-(2-chloro-6-methylphenyl)-4,5-difluorobenzamide.
What is the SMILES notation for 2-amino-N-(2-chloro-6-methylphenyl)-4,5-difluorobenzamide?
The canonical SMILES for 2-amino-N-(2-chloro-6-methylphenyl)-4,5-difluorobenzamide is Cc1cccc(Cl)c1NC(=O)c1cc(F)c(F)cc1N.
What is the InChIKey of 2-amino-N-(2-chloro-6-methylphenyl)-4,5-difluorobenzamide?
The InChIKey is MONIGLMBQJDTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N2O/c1-7-3-2-4-9(15)13(7)19-14(20)8-5-10(16)11(17)6-12(8)18/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of 2-amino-N-(2-chloro-6-methylphenyl)-4,5-difluorobenzamide?
2-amino-N-(2-chloro-6-methylphenyl)-4,5-difluorobenzamide has a molecular weight of 296.70 g/mol, XLogP of 3.76, 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-chloro-6-methylphenyl)-4,5-difluorobenzamide is sourced from PubChem (CID 66251998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).