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

C13H9ClF2N2O — CID 61074997

IUPAC2-amino-4-chloro-N-(2,3-difluorophenyl)benzamide
SMILESNc1cc(Cl)ccc1C(=O)Nc1cccc(F)c1F
InChIInChI=1S/C13H9ClF2N2O/c14-7-4-5-8(10(17)6-7)13(19)18-11-3-1-2-9(15)12(11)16/h1-6H,17H2,(H,18,19)
InChIKeyLJTWQCLHQIFQDQ-UHFFFAOYSA-N
MW282.68 g/mol
LogP3.45
Rot. Bonds2

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

2-amino-4-chloro-N-(2,3-difluorophenyl)benzamide (PubChem CID 61074997) has the molecular formula C13H9ClF2N2O and a molecular weight of 282.68 g/mol. Its IUPAC name is 2-amino-4-chloro-N-(2,3-difluorophenyl)benzamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-(2,3-difluorophenyl)benzamide
PubChem CID61074997
Molecular FormulaC13H9ClF2N2O
Molecular Weight282.68 g/mol
Exact Mass282.04
IUPAC Name2-amino-4-chloro-N-(2,3-difluorophenyl)benzamide
SMILESNc1cc(Cl)ccc1C(=O)Nc1cccc(F)c1F
InChIInChI=1S/C13H9ClF2N2O/c14-7-4-5-8(10(17)6-7)13(19)18-11-3-1-2-9(15)12(11)16/h1-6H,17H2,(H,18,19)
InChIKeyLJTWQCLHQIFQDQ-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-(2,3-difluorophenyl)benzamide
CID 112575125
5-amino-2,3-dichloro-N-(2,3-difluorophenyl)benzamide
CID 107183805
N-(2-amino-4-chlorophenyl)-2-fluorobenzamide
CID 16773651
2-amino-4-chloro-N-(2,5-dichlorophenyl)benzamide
CID 29037738
2-amino-4-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide
CID 107571179
6-amino-N-(2,3-difluorophenyl)-1,3-benzodioxole-5-carboxamide
CID 103542895
2-amino-4-chloro-N-(3,5-difluorophenyl)benzamide
CID 16783519
N-(2,3-difluorophenyl)-2,3-dihydroxybenzamide
CID 114344008
N-(4-chloro-2-iodophenyl)-2,3-difluorobenzamide
CID 103766879
N-(2,3-difluorophenyl)-4-fluoro-2-hydroxybenzamide
CID 103888089
2-amino-N-(2,3-difluorophenyl)-3-methylbenzamide
CID 61074628
2-amino-N-[3-(carbamoylamino)phenyl]-4-chlorobenzamide
CID 62058536

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-(2,3-difluorophenyl)benzamide?
The IUPAC name of 2-amino-4-chloro-N-(2,3-difluorophenyl)benzamide (CID 61074997) is 2-amino-4-chloro-N-(2,3-difluorophenyl)benzamide.
What is the SMILES notation for 2-amino-4-chloro-N-(2,3-difluorophenyl)benzamide?
The canonical SMILES for 2-amino-4-chloro-N-(2,3-difluorophenyl)benzamide is Nc1cc(Cl)ccc1C(=O)Nc1cccc(F)c1F.
What is the InChIKey of 2-amino-4-chloro-N-(2,3-difluorophenyl)benzamide?
The InChIKey is LJTWQCLHQIFQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2N2O/c14-7-4-5-8(10(17)6-7)13(19)18-11-3-1-2-9(15)12(11)16/h1-6H,17H2,(H,18,19).
What are the key properties of 2-amino-4-chloro-N-(2,3-difluorophenyl)benzamide?
2-amino-4-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 2-amino-4-chloro-N-(2,3-difluorophenyl)benzamide is sourced from PubChem (CID 61074997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).