2-amino-4-chloro-N-(3,5-difluorophenyl)benzamide

C13H9ClF2N2O — CID 16783519

IUPAC2-amino-4-chloro-N-(3,5-difluorophenyl)benzamide
SMILESNc1cc(Cl)ccc1C(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C13H9ClF2N2O/c14-7-1-2-11(12(17)3-7)13(19)18-10-5-8(15)4-9(16)6-10/h1-6H,17H2,(H,18,19)
InChIKeyXFNPGDPGPKEGBJ-UHFFFAOYSA-N
MW282.68 g/mol
LogP3.45
Rot. Bonds2

About 2-amino-4-chloro-N-(3,5-difluorophenyl)benzamide

2-amino-4-chloro-N-(3,5-difluorophenyl)benzamide (PubChem CID 16783519) has the molecular formula C13H9ClF2N2O and a molecular weight of 282.68 g/mol. Its IUPAC name is 2-amino-4-chloro-N-(3,5-difluorophenyl)benzamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-(3,5-difluorophenyl)benzamide
PubChem CID16783519
Molecular FormulaC13H9ClF2N2O
Molecular Weight282.68 g/mol
Exact Mass282.04
IUPAC Name2-amino-4-chloro-N-(3,5-difluorophenyl)benzamide
SMILESNc1cc(Cl)ccc1C(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C13H9ClF2N2O/c14-7-1-2-11(12(17)3-7)13(19)18-10-5-8(15)4-9(16)6-10/h1-6H,17H2,(H,18,19)
InChIKeyXFNPGDPGPKEGBJ-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-amino-4-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide
CID 107571179
2-amino-N-(3,5-difluorophenyl)-4-fluorobenzamide
CID 63109717
2-amino-4-chloro-N-(6-fluoro-3-pyridinyl)benzamide
CID 114052632
2-amino-N-(3-chlorophenyl)-4-fluorobenzamide
CID 55177097
2-amino-4-chloro-N-(2,5-dichlorophenyl)benzamide
CID 29037738
2-amino-N-[3-(carbamoylamino)phenyl]-4-chlorobenzamide
CID 62058536
4-[(2-amino-4-chlorobenzoyl)amino]-2-chlorobenzamide
CID 62057564
2-amino-5-chloro-N-(4-fluorophenyl)benzamide
CID 6481536
2-amino-3-chloro-N-(3,5-difluorophenyl)benzamide
CID 115539928
2-amino-4-chloro-N-(4-ethylphenyl)benzamide
CID 28605488
2-amino-4-chloro-N-(2,3-difluorophenyl)benzamide
CID 61074997
2-amino-4-chloro-N-(1,2-oxazol-4-yl)benzamide
CID 62902220

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-(3,5-difluorophenyl)benzamide?
The IUPAC name of 2-amino-4-chloro-N-(3,5-difluorophenyl)benzamide (CID 16783519) is 2-amino-4-chloro-N-(3,5-difluorophenyl)benzamide.
What is the SMILES notation for 2-amino-4-chloro-N-(3,5-difluorophenyl)benzamide?
The canonical SMILES for 2-amino-4-chloro-N-(3,5-difluorophenyl)benzamide is Nc1cc(Cl)ccc1C(=O)Nc1cc(F)cc(F)c1.
What is the InChIKey of 2-amino-4-chloro-N-(3,5-difluorophenyl)benzamide?
The InChIKey is XFNPGDPGPKEGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2N2O/c14-7-1-2-11(12(17)3-7)13(19)18-10-5-8(15)4-9(16)6-10/h1-6H,17H2,(H,18,19).
What are the key properties of 2-amino-4-chloro-N-(3,5-difluorophenyl)benzamide?
2-amino-4-chloro-N-(3,5-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-(3,5-difluorophenyl)benzamide is sourced from PubChem (CID 16783519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).