2-amino-6-chloro-N-(3,4-difluorophenyl)benzamide

C13H9ClF2N2O — CID 63660522

IUPAC2-amino-6-chloro-N-(3,4-difluorophenyl)benzamide
SMILESNc1cccc(Cl)c1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C13H9ClF2N2O/c14-8-2-1-3-11(17)12(8)13(19)18-7-4-5-9(15)10(16)6-7/h1-6H,17H2,(H,18,19)
InChIKeyDOSGTGDTOQUGEE-UHFFFAOYSA-N
MW282.68 g/mol
LogP3.45
Rot. Bonds2

About 2-amino-6-chloro-N-(3,4-difluorophenyl)benzamide

2-amino-6-chloro-N-(3,4-difluorophenyl)benzamide (PubChem CID 63660522) has the molecular formula C13H9ClF2N2O and a molecular weight of 282.68 g/mol. Its IUPAC name is 2-amino-6-chloro-N-(3,4-difluorophenyl)benzamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-(3,4-difluorophenyl)benzamide
PubChem CID63660522
Molecular FormulaC13H9ClF2N2O
Molecular Weight282.68 g/mol
Exact Mass282.04
IUPAC Name2-amino-6-chloro-N-(3,4-difluorophenyl)benzamide
SMILESNc1cccc(Cl)c1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C13H9ClF2N2O/c14-8-2-1-3-11(17)12(8)13(19)18-7-4-5-9(15)10(16)6-7/h1-6H,17H2,(H,18,19)
InChIKeyDOSGTGDTOQUGEE-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

2,6-dichloro-N-(3,4-difluorophenyl)benzamide
CID 4128288
2-amino-6-chloro-N-(3,4,5-trifluorophenyl)benzamide
CID 63658626
2-amino-N-(3-bromo-4-methylphenyl)-6-chlorobenzamide
CID 63663448
2-amino-6-chloro-N-(2,3,4-trifluorophenyl)benzamide
CID 63660530
3-amino-N-(3,4-difluorophenyl)-2-fluorobenzamide
CID 150244858
2-chloro-N-(3,4-dichlorophenyl)-6-fluorobenzamide
CID 26085744
2-amino-N-(4-fluoro-3-methylphenyl)-6-methylbenzamide
CID 55119448
3-amino-2-chloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 112574586
2-amino-6-chloro-N-(3-fluoro-2-methylphenyl)benzamide
CID 63660223
2-amino-6-chloro-N-(4-chloro-2-pyridinyl)benzamide
CID 114052162
2-amino-6-chloro-N-(5-chloro-2-methoxyphenyl)benzamide
CID 63659121
N-(3-amino-4-chlorophenyl)-2,6-dihydroxybenzamide
CID 107687543

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-(3,4-difluorophenyl)benzamide?
The IUPAC name of 2-amino-6-chloro-N-(3,4-difluorophenyl)benzamide (CID 63660522) is 2-amino-6-chloro-N-(3,4-difluorophenyl)benzamide.
What is the SMILES notation for 2-amino-6-chloro-N-(3,4-difluorophenyl)benzamide?
The canonical SMILES for 2-amino-6-chloro-N-(3,4-difluorophenyl)benzamide is Nc1cccc(Cl)c1C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of 2-amino-6-chloro-N-(3,4-difluorophenyl)benzamide?
The InChIKey is DOSGTGDTOQUGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2N2O/c14-8-2-1-3-11(17)12(8)13(19)18-7-4-5-9(15)10(16)6-7/h1-6H,17H2,(H,18,19).
What are the key properties of 2-amino-6-chloro-N-(3,4-difluorophenyl)benzamide?
2-amino-6-chloro-N-(3,4-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 2-amino-6-chloro-N-(3,4-difluorophenyl)benzamide is sourced from PubChem (CID 63660522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).