3-amino-2-chloro-N-(2-fluoro-4-methylphenyl)benzamide

C14H12ClFN2O — CID 112574577

IUPAC3-amino-2-chloro-N-(2-fluoro-4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(N)c2Cl)c(F)c1
InChIInChI=1S/C14H12ClFN2O/c1-8-5-6-12(10(16)7-8)18-14(19)9-3-2-4-11(17)13(9)15/h2-7H,17H2,1H3,(H,18,19)
InChIKeyHDBJUMUELVHNMH-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.62
Rot. Bonds2

About 3-amino-2-chloro-N-(2-fluoro-4-methylphenyl)benzamide

3-amino-2-chloro-N-(2-fluoro-4-methylphenyl)benzamide (PubChem CID 112574577) has the molecular formula C14H12ClFN2O and a molecular weight of 278.71 g/mol. Its IUPAC name is 3-amino-2-chloro-N-(2-fluoro-4-methylphenyl)benzamide.

Molecular Properties

Compound Name3-amino-2-chloro-N-(2-fluoro-4-methylphenyl)benzamide
PubChem CID112574577
Molecular FormulaC14H12ClFN2O
Molecular Weight278.71 g/mol
Exact Mass278.06
IUPAC Name3-amino-2-chloro-N-(2-fluoro-4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(N)c2Cl)c(F)c1
InChIInChI=1S/C14H12ClFN2O/c1-8-5-6-12(10(16)7-8)18-14(19)9-3-2-4-11(17)13(9)15/h2-7H,17H2,1H3,(H,18,19)
InChIKeyHDBJUMUELVHNMH-UHFFFAOYSA-N
XLogP3.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 53.62
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-(3-fluoro-2-methylphenyl)benzamide
CID 112575791
3-amino-2-chloro-N-(4-cyano-2-fluorophenyl)benzamide
CID 115930631
2,3-difluoro-N-(2-fluoro-4-methylphenyl)benzamide
CID 62648850
3-amino-2-chloro-N-(2,3-difluorophenyl)benzamide
CID 112575125
3-amino-2-chloro-N-(4-methylphenyl)benzamide
CID 112574116
N-(4-chloro-2-fluorophenyl)-2-fluoro-5-methylbenzamide
CID 55083427
3-amino-2-chloro-N-(2-fluoro-5-methoxyphenyl)benzamide
CID 115930606
2-amino-4-fluoro-N-(2-fluoro-4-methylphenyl)benzamide
CID 63109760
3-amino-N-(5-bromo-2-fluorophenyl)-2-chlorobenzamide
CID 112574878
3-amino-2-chloro-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 115930471
3-amino-N-(2,4-difluorophenyl)-2-methylbenzamide
CID 16791308
N-(2-amino-4,5-dimethylphenyl)-2-chloro-3-fluorobenzamide
CID 81454782

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-N-(2-fluoro-4-methylphenyl)benzamide?
The IUPAC name of 3-amino-2-chloro-N-(2-fluoro-4-methylphenyl)benzamide (CID 112574577) is 3-amino-2-chloro-N-(2-fluoro-4-methylphenyl)benzamide.
What is the SMILES notation for 3-amino-2-chloro-N-(2-fluoro-4-methylphenyl)benzamide?
The canonical SMILES for 3-amino-2-chloro-N-(2-fluoro-4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2cccc(N)c2Cl)c(F)c1.
What is the InChIKey of 3-amino-2-chloro-N-(2-fluoro-4-methylphenyl)benzamide?
The InChIKey is HDBJUMUELVHNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O/c1-8-5-6-12(10(16)7-8)18-14(19)9-3-2-4-11(17)13(9)15/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-2-chloro-N-(2-fluoro-4-methylphenyl)benzamide?
3-amino-2-chloro-N-(2-fluoro-4-methylphenyl)benzamide has a molecular weight of 278.71 g/mol, XLogP of 3.62, 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-fluoro-4-methylphenyl)benzamide is sourced from PubChem (CID 112574577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).