2-amino-3-chloro-N-(2-fluoro-5-methylphenyl)benzamide

C14H12ClFN2O — CID 115540011

IUPAC2-amino-3-chloro-N-(2-fluoro-5-methylphenyl)benzamide
SMILESCc1ccc(F)c(NC(=O)c2cccc(Cl)c2N)c1
InChIInChI=1S/C14H12ClFN2O/c1-8-5-6-11(16)12(7-8)18-14(19)9-3-2-4-10(15)13(9)17/h2-7H,17H2,1H3,(H,18,19)
InChIKeyWZJFUCXEDPROKP-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.62
Rot. Bonds2

About 2-amino-3-chloro-N-(2-fluoro-5-methylphenyl)benzamide

2-amino-3-chloro-N-(2-fluoro-5-methylphenyl)benzamide (PubChem CID 115540011) has the molecular formula C14H12ClFN2O and a molecular weight of 278.71 g/mol. Its IUPAC name is 2-amino-3-chloro-N-(2-fluoro-5-methylphenyl)benzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-(2-fluoro-5-methylphenyl)benzamide
PubChem CID115540011
Molecular FormulaC14H12ClFN2O
Molecular Weight278.71 g/mol
Exact Mass278.06
IUPAC Name2-amino-3-chloro-N-(2-fluoro-5-methylphenyl)benzamide
SMILESCc1ccc(F)c(NC(=O)c2cccc(Cl)c2N)c1
InChIInChI=1S/C14H12ClFN2O/c1-8-5-6-11(16)12(7-8)18-14(19)9-3-2-4-10(15)13(9)17/h2-7H,17H2,1H3,(H,18,19)
InChIKeyWZJFUCXEDPROKP-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

2-amino-3-chloro-N-(2,5-difluoro-4-methylphenyl)benzamide
CID 103584339
2-amino-3-chloro-N-(4-chloro-2-methylphenyl)benzamide
CID 82546494
N-(2-fluoro-5-methylphenyl)-2-hydrazinylbenzamide
CID 62243099
N-(2-chlorophenyl)-2-fluoro-5-methylbenzamide
CID 62509353
2-amino-3-chloro-N-(2,3,5-trifluorophenyl)benzamide
CID 115540640
N-(2-chloro-5-methylphenyl)-2-hydroxybenzamide
CID 103769569
2-amino-3-chloro-N-(3,5-difluorophenyl)benzamide
CID 115539928
N-(5-chloro-2-fluorophenyl)-2-fluoro-4-methylbenzamide
CID 79770803
N-(4-amino-2-chlorophenyl)-2-fluoro-5-methylbenzamide
CID 62515470
N-(2-chloro-4-methylphenyl)-2,3-difluorobenzamide
CID 62650999
2-amino-N-(2-bromo-4-methylphenyl)-3-fluorobenzamide
CID 62649187
2-amino-N-(2-bromo-5-fluorophenyl)-3-chlorobenzamide
CID 107624293

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-(2-fluoro-5-methylphenyl)benzamide?
The IUPAC name of 2-amino-3-chloro-N-(2-fluoro-5-methylphenyl)benzamide (CID 115540011) is 2-amino-3-chloro-N-(2-fluoro-5-methylphenyl)benzamide.
What is the SMILES notation for 2-amino-3-chloro-N-(2-fluoro-5-methylphenyl)benzamide?
The canonical SMILES for 2-amino-3-chloro-N-(2-fluoro-5-methylphenyl)benzamide is Cc1ccc(F)c(NC(=O)c2cccc(Cl)c2N)c1.
What is the InChIKey of 2-amino-3-chloro-N-(2-fluoro-5-methylphenyl)benzamide?
The InChIKey is WZJFUCXEDPROKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O/c1-8-5-6-11(16)12(7-8)18-14(19)9-3-2-4-10(15)13(9)17/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-3-chloro-N-(2-fluoro-5-methylphenyl)benzamide?
2-amino-3-chloro-N-(2-fluoro-5-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-3-chloro-N-(2-fluoro-5-methylphenyl)benzamide is sourced from PubChem (CID 115540011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).