2-amino-N-[5-chloro-2-(dimethylamino)phenyl]-5-fluorobenzamide

C15H15ClFN3O — CID 43710251

IUPAC2-amino-N-[5-chloro-2-(dimethylamino)phenyl]-5-fluorobenzamide
SMILESCN(C)c1ccc(Cl)cc1NC(=O)c1cc(F)ccc1N
InChIInChI=1S/C15H15ClFN3O/c1-20(2)14-6-3-9(16)7-13(14)19-15(21)11-8-10(17)4-5-12(11)18/h3-8H,18H2,1-2H3,(H,19,21)
InChIKeyCHWONCFGWDLDIP-UHFFFAOYSA-N
MW307.76 g/mol
LogP3.38
Rot. Bonds3

About 2-amino-N-[5-chloro-2-(dimethylamino)phenyl]-5-fluorobenzamide

2-amino-N-[5-chloro-2-(dimethylamino)phenyl]-5-fluorobenzamide (PubChem CID 43710251) has the molecular formula C15H15ClFN3O and a molecular weight of 307.76 g/mol. Its IUPAC name is 2-amino-N-[5-chloro-2-(dimethylamino)phenyl]-5-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-[5-chloro-2-(dimethylamino)phenyl]-5-fluorobenzamide
PubChem CID43710251
Molecular FormulaC15H15ClFN3O
Molecular Weight307.76 g/mol
Exact Mass307.09
IUPAC Name2-amino-N-[5-chloro-2-(dimethylamino)phenyl]-5-fluorobenzamide
SMILESCN(C)c1ccc(Cl)cc1NC(=O)c1cc(F)ccc1N
InChIInChI=1S/C15H15ClFN3O/c1-20(2)14-6-3-9(16)7-13(14)19-15(21)11-8-10(17)4-5-12(11)18/h3-8H,18H2,1-2H3,(H,19,21)
InChIKeyCHWONCFGWDLDIP-UHFFFAOYSA-N
XLogP3.38
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[5-chloro-2-(dimethylamino)phenyl]-4-fluoro-2-methylbenzamide
CID 115745652
2-amino-4-chloro-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
CID 63110506
2-amino-N-(4-chloro-2-iodophenyl)-5-fluorobenzamide
CID 107624102
2-amino-5-chloro-N-(2,4-difluorophenyl)benzamide
CID 16796170
2-amino-N-[5-bromo-2-(dimethylamino)phenyl]-4-fluorobenzamide
CID 63110560
3-amino-4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
CID 107812913
N-(2-amino-5-fluorophenyl)-5-chloro-2-fluorobenzamide
CID 63257209
N-(2-amino-5-fluorophenyl)-5-chloro-2-methylbenzamide
CID 82881025
5-amino-N-(2-chloro-4-fluorophenyl)-2-(dimethylamino)benzamide
CID 61095146
2-amino-N-[3-(dimethylamino)-4-methylphenyl]-5-fluorobenzamide
CID 115375820
2-amino-N-(4-chloro-2-pyridinyl)-5-fluorobenzamide
CID 114052160
2-amino-5-chloro-N-(4-fluorophenyl)benzamide
CID 6481536

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-chloro-2-(dimethylamino)phenyl]-5-fluorobenzamide?
The IUPAC name of 2-amino-N-[5-chloro-2-(dimethylamino)phenyl]-5-fluorobenzamide (CID 43710251) is 2-amino-N-[5-chloro-2-(dimethylamino)phenyl]-5-fluorobenzamide.
What is the SMILES notation for 2-amino-N-[5-chloro-2-(dimethylamino)phenyl]-5-fluorobenzamide?
The canonical SMILES for 2-amino-N-[5-chloro-2-(dimethylamino)phenyl]-5-fluorobenzamide is CN(C)c1ccc(Cl)cc1NC(=O)c1cc(F)ccc1N.
What is the InChIKey of 2-amino-N-[5-chloro-2-(dimethylamino)phenyl]-5-fluorobenzamide?
The InChIKey is CHWONCFGWDLDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O/c1-20(2)14-6-3-9(16)7-13(14)19-15(21)11-8-10(17)4-5-12(11)18/h3-8H,18H2,1-2H3,(H,19,21).
What are the key properties of 2-amino-N-[5-chloro-2-(dimethylamino)phenyl]-5-fluorobenzamide?
2-amino-N-[5-chloro-2-(dimethylamino)phenyl]-5-fluorobenzamide has a molecular weight of 307.76 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-chloro-2-(dimethylamino)phenyl]-5-fluorobenzamide is sourced from PubChem (CID 43710251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).