2-amino-6-chloro-N-(3-fluoro-2-methylphenyl)benzamide

C14H12ClFN2O — CID 63660223

IUPAC2-amino-6-chloro-N-(3-fluoro-2-methylphenyl)benzamide
SMILESCc1c(F)cccc1NC(=O)c1c(N)cccc1Cl
InChIInChI=1S/C14H12ClFN2O/c1-8-10(16)5-3-7-12(8)18-14(19)13-9(15)4-2-6-11(13)17/h2-7H,17H2,1H3,(H,18,19)
InChIKeyKDYQACRKIRNACB-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.62
Rot. Bonds2

About 2-amino-6-chloro-N-(3-fluoro-2-methylphenyl)benzamide

2-amino-6-chloro-N-(3-fluoro-2-methylphenyl)benzamide (PubChem CID 63660223) has the molecular formula C14H12ClFN2O and a molecular weight of 278.71 g/mol. Its IUPAC name is 2-amino-6-chloro-N-(3-fluoro-2-methylphenyl)benzamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-(3-fluoro-2-methylphenyl)benzamide
PubChem CID63660223
Molecular FormulaC14H12ClFN2O
Molecular Weight278.71 g/mol
Exact Mass278.06
IUPAC Name2-amino-6-chloro-N-(3-fluoro-2-methylphenyl)benzamide
SMILESCc1c(F)cccc1NC(=O)c1c(N)cccc1Cl
InChIInChI=1S/C14H12ClFN2O/c1-8-10(16)5-3-7-12(8)18-14(19)13-9(15)4-2-6-11(13)17/h2-7H,17H2,1H3,(H,18,19)
InChIKeyKDYQACRKIRNACB-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
2-amino-6-chloro-N-(2,3,4-trifluorophenyl)benzamide
CID 63660530
2-amino-6-ethoxy-N-(3-fluoro-2-methylphenyl)benzamide
CID 81396147
2-amino-N-(2-chlorophenyl)-6-methylbenzamide
CID 16785685
2-amino-6-chloro-N-(3,4,5-trifluorophenyl)benzamide
CID 63658626
2-amino-6-chloro-N-(3,4-difluorophenyl)benzamide
CID 63660522
2-amino-6-chloro-N-(3-methyl-4-pyridinyl)benzamide
CID 63669500
N-(4-amino-5-chloro-2-methylphenyl)-2,6-difluorobenzamide
CID 104667512
2-amino-6-chloro-N-(5-chloro-2-methoxyphenyl)benzamide
CID 63659121
2-amino-6-chloro-N-(2,4,6-trimethylphenyl)benzamide
CID 63659648
2-amino-6-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide
CID 63658199
2-amino-6-chlorobenzohydrazide;ethane
CID 145125015

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-(3-fluoro-2-methylphenyl)benzamide?
The IUPAC name of 2-amino-6-chloro-N-(3-fluoro-2-methylphenyl)benzamide (CID 63660223) is 2-amino-6-chloro-N-(3-fluoro-2-methylphenyl)benzamide.
What is the SMILES notation for 2-amino-6-chloro-N-(3-fluoro-2-methylphenyl)benzamide?
The canonical SMILES for 2-amino-6-chloro-N-(3-fluoro-2-methylphenyl)benzamide is Cc1c(F)cccc1NC(=O)c1c(N)cccc1Cl.
What is the InChIKey of 2-amino-6-chloro-N-(3-fluoro-2-methylphenyl)benzamide?
The InChIKey is KDYQACRKIRNACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O/c1-8-10(16)5-3-7-12(8)18-14(19)13-9(15)4-2-6-11(13)17/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-6-chloro-N-(3-fluoro-2-methylphenyl)benzamide?
2-amino-6-chloro-N-(3-fluoro-2-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 2-amino-6-chloro-N-(3-fluoro-2-methylphenyl)benzamide is sourced from PubChem (CID 63660223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).