3-amino-2-chloro-N-(2,3-difluorophenyl)benzamide

C13H9ClF2N2O — CID 112575125

IUPAC3-amino-2-chloro-N-(2,3-difluorophenyl)benzamide
SMILESNc1cccc(C(=O)Nc2cccc(F)c2F)c1Cl
InChIInChI=1S/C13H9ClF2N2O/c14-11-7(3-1-5-9(11)17)13(19)18-10-6-2-4-8(15)12(10)16/h1-6H,17H2,(H,18,19)
InChIKeyATPNINWZYKMXCI-UHFFFAOYSA-N
MW282.68 g/mol
LogP3.45
Rot. Bonds2

About 3-amino-2-chloro-N-(2,3-difluorophenyl)benzamide

3-amino-2-chloro-N-(2,3-difluorophenyl)benzamide (PubChem CID 112575125) has the molecular formula C13H9ClF2N2O and a molecular weight of 282.68 g/mol. Its IUPAC name is 3-amino-2-chloro-N-(2,3-difluorophenyl)benzamide.

Molecular Properties

Compound Name3-amino-2-chloro-N-(2,3-difluorophenyl)benzamide
PubChem CID112575125
Molecular FormulaC13H9ClF2N2O
Molecular Weight282.68 g/mol
Exact Mass282.04
IUPAC Name3-amino-2-chloro-N-(2,3-difluorophenyl)benzamide
SMILESNc1cccc(C(=O)Nc2cccc(F)c2F)c1Cl
InChIInChI=1S/C13H9ClF2N2O/c14-11-7(3-1-5-9(11)17)13(19)18-10-6-2-4-8(15)12(10)16/h1-6H,17H2,(H,18,19)
InChIKeyATPNINWZYKMXCI-UHFFFAOYSA-N
XLogP3.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.68
LogP ≤ 53.45
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-4-chloro-N-(2,3-difluorophenyl)benzamide
CID 61074997
5-amino-2,3-dichloro-N-(2,3-difluorophenyl)benzamide
CID 107183805
3-amino-2-chloro-N-(2-fluoro-4-methylphenyl)benzamide
CID 112574577
3-amino-N-(5-bromo-2-fluorophenyl)-2-chlorobenzamide
CID 112574878
2-amino-N-(2,3-difluorophenyl)-3-methylbenzamide
CID 61074628
3-amino-2-chloro-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 115930162
3-amino-2-chloro-N-(2-fluoro-5-methoxyphenyl)benzamide
CID 115930606
N-(2,3-difluorophenyl)-2,3-dihydroxybenzamide
CID 114344008
3-amino-2-chloro-N-(4-cyano-2-fluorophenyl)benzamide
CID 115930631
3-amino-2-chloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 112574586
3-amino-N-(3-bromo-2-methylphenyl)-2-chlorobenzamide
CID 107623979

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-N-(2,3-difluorophenyl)benzamide?
The IUPAC name of 3-amino-2-chloro-N-(2,3-difluorophenyl)benzamide (CID 112575125) is 3-amino-2-chloro-N-(2,3-difluorophenyl)benzamide.
What is the SMILES notation for 3-amino-2-chloro-N-(2,3-difluorophenyl)benzamide?
The canonical SMILES for 3-amino-2-chloro-N-(2,3-difluorophenyl)benzamide is Nc1cccc(C(=O)Nc2cccc(F)c2F)c1Cl.
What is the InChIKey of 3-amino-2-chloro-N-(2,3-difluorophenyl)benzamide?
The InChIKey is ATPNINWZYKMXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2N2O/c14-11-7(3-1-5-9(11)17)13(19)18-10-6-2-4-8(15)12(10)16/h1-6H,17H2,(H,18,19).
What are the key properties of 3-amino-2-chloro-N-(2,3-difluorophenyl)benzamide?
3-amino-2-chloro-N-(2,3-difluorophenyl)benzamide has a molecular weight of 282.68 g/mol, XLogP of 3.45, 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-(2,3-difluorophenyl)benzamide is sourced from PubChem (CID 112575125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).