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

C14H11ClF2N2O — CID 104667512

IUPACN-(4-amino-5-chloro-2-methylphenyl)-2,6-difluorobenzamide
SMILESCc1cc(N)c(Cl)cc1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C14H11ClF2N2O/c1-7-5-11(18)8(15)6-12(7)19-14(20)13-9(16)3-2-4-10(13)17/h2-6H,18H2,1H3,(H,19,20)
InChIKeyAWVUIWXAOJKAGY-UHFFFAOYSA-N
MW296.70 g/mol
LogP3.76
Rot. Bonds2

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

N-(4-amino-5-chloro-2-methylphenyl)-2,6-difluorobenzamide (PubChem CID 104667512) has the molecular formula C14H11ClF2N2O and a molecular weight of 296.70 g/mol. Its IUPAC name is N-(4-amino-5-chloro-2-methylphenyl)-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-(4-amino-5-chloro-2-methylphenyl)-2,6-difluorobenzamide
PubChem CID104667512
Molecular FormulaC14H11ClF2N2O
Molecular Weight296.70 g/mol
Exact Mass296.05
IUPAC NameN-(4-amino-5-chloro-2-methylphenyl)-2,6-difluorobenzamide
SMILESCc1cc(N)c(Cl)cc1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C14H11ClF2N2O/c1-7-5-11(18)8(15)6-12(7)19-14(20)13-9(16)3-2-4-10(13)17/h2-6H,18H2,1H3,(H,19,20)
InChIKeyAWVUIWXAOJKAGY-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

N-(4-amino-2,5-dimethylphenyl)-2,6-difluorobenzamide
CID 103144635
N-(4-amino-5-chloro-2-methylphenyl)-2-fluoro-3-methylbenzamide
CID 104667416
N-(4-amino-5-chloro-2-methylphenyl)-2-fluoro-4-methylbenzamide
CID 104667653
N-(4-amino-5-chloro-2-methylphenyl)-5-fluoropyridine-2-carboxamide
CID 104667498
N-(5-bromo-4-fluoro-2-methylphenyl)-2-chloro-6-fluorobenzamide
CID 103274912
N-(5-amino-2-chlorophenyl)-2,6-difluorobenzamide
CID 43548813
N-(4-amino-5-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 113438955
N-(4-amino-5-chloro-2-methylphenyl)-3,4-dichlorobenzamide
CID 104667459
2-chloro-6-fluoro-N-(4-iodo-2-methylphenyl)benzamide
CID 47099671
N-(2-bromo-5-chloro-4-methylphenyl)-2-chloro-6-fluorobenzamide
CID 104724195
2-amino-6-chloro-N-(3-fluoro-2-methylphenyl)benzamide
CID 63660223
N-(4-amino-5-chloro-2-methylphenyl)-4-bromo-2-methylbenzamide
CID 104667361

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-5-chloro-2-methylphenyl)-2,6-difluorobenzamide?
The IUPAC name of N-(4-amino-5-chloro-2-methylphenyl)-2,6-difluorobenzamide (CID 104667512) is N-(4-amino-5-chloro-2-methylphenyl)-2,6-difluorobenzamide.
What is the SMILES notation for N-(4-amino-5-chloro-2-methylphenyl)-2,6-difluorobenzamide?
The canonical SMILES for N-(4-amino-5-chloro-2-methylphenyl)-2,6-difluorobenzamide is Cc1cc(N)c(Cl)cc1NC(=O)c1c(F)cccc1F.
What is the InChIKey of N-(4-amino-5-chloro-2-methylphenyl)-2,6-difluorobenzamide?
The InChIKey is AWVUIWXAOJKAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N2O/c1-7-5-11(18)8(15)6-12(7)19-14(20)13-9(16)3-2-4-10(13)17/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of N-(4-amino-5-chloro-2-methylphenyl)-2,6-difluorobenzamide?
N-(4-amino-5-chloro-2-methylphenyl)-2,6-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 N-(4-amino-5-chloro-2-methylphenyl)-2,6-difluorobenzamide is sourced from PubChem (CID 104667512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).