5-amino-N-[3-chloro-4-(dimethylamino)phenyl]-2-fluorobenzamide

C15H15ClFN3O — CID 61102410

IUPAC5-amino-N-[3-chloro-4-(dimethylamino)phenyl]-2-fluorobenzamide
SMILESCN(C)c1ccc(NC(=O)c2cc(N)ccc2F)cc1Cl
InChIInChI=1S/C15H15ClFN3O/c1-20(2)14-6-4-10(8-12(14)16)19-15(21)11-7-9(18)3-5-13(11)17/h3-8H,18H2,1-2H3,(H,19,21)
InChIKeyHHECJJCRNCWEGS-UHFFFAOYSA-N
MW307.76 g/mol
LogP3.38
Rot. Bonds3

About 5-amino-N-[3-chloro-4-(dimethylamino)phenyl]-2-fluorobenzamide

5-amino-N-[3-chloro-4-(dimethylamino)phenyl]-2-fluorobenzamide (PubChem CID 61102410) has the molecular formula C15H15ClFN3O and a molecular weight of 307.76 g/mol. Its IUPAC name is 5-amino-N-[3-chloro-4-(dimethylamino)phenyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-amino-N-[3-chloro-4-(dimethylamino)phenyl]-2-fluorobenzamide
PubChem CID61102410
Molecular FormulaC15H15ClFN3O
Molecular Weight307.76 g/mol
Exact Mass307.09
IUPAC Name5-amino-N-[3-chloro-4-(dimethylamino)phenyl]-2-fluorobenzamide
SMILESCN(C)c1ccc(NC(=O)c2cc(N)ccc2F)cc1Cl
InChIInChI=1S/C15H15ClFN3O/c1-20(2)14-6-4-10(8-12(14)16)19-15(21)11-7-9(18)3-5-13(11)17/h3-8H,18H2,1-2H3,(H,19,21)
InChIKeyHHECJJCRNCWEGS-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': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-(dimethylamino)-N-(3,4-dimethylphenyl)benzamide
CID 61090008
4-amino-N-[3-(dimethylamino)-4-methylphenyl]-2-fluorobenzamide
CID 115375795
5-amino-N-(2-chloro-4-fluorophenyl)-2-(dimethylamino)benzamide
CID 61095146
N-(3-chloro-4-fluorophenyl)-2-fluoro-5-methylbenzamide
CID 62510400
5-amino-N-(3-chloro-4-fluorophenyl)-2-nitrobenzamide
CID 62154053
methyl 4-[(5-amino-2-fluorobenzoyl)amino]benzoate
CID 61117353
4-[(4-amino-2-fluorobenzoyl)amino]-2-chlorobenzoic acid
CID 103869409
5-amino-N-(3,4-dichlorophenyl)-2-methylbenzamide
CID 61291913
5-amino-N-(2-chlorophenyl)-2-fluorobenzamide
CID 43510734
5-amino-N-(2-bromo-5-chlorophenyl)-2-(dimethylamino)benzamide
CID 81252329
4-amino-2-chloro-N-(4-fluorophenyl)benzamide
CID 16787993
5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-fluorobenzamide
CID 107571074

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[3-chloro-4-(dimethylamino)phenyl]-2-fluorobenzamide?
The IUPAC name of 5-amino-N-[3-chloro-4-(dimethylamino)phenyl]-2-fluorobenzamide (CID 61102410) is 5-amino-N-[3-chloro-4-(dimethylamino)phenyl]-2-fluorobenzamide.
What is the SMILES notation for 5-amino-N-[3-chloro-4-(dimethylamino)phenyl]-2-fluorobenzamide?
The canonical SMILES for 5-amino-N-[3-chloro-4-(dimethylamino)phenyl]-2-fluorobenzamide is CN(C)c1ccc(NC(=O)c2cc(N)ccc2F)cc1Cl.
What is the InChIKey of 5-amino-N-[3-chloro-4-(dimethylamino)phenyl]-2-fluorobenzamide?
The InChIKey is HHECJJCRNCWEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O/c1-20(2)14-6-4-10(8-12(14)16)19-15(21)11-7-9(18)3-5-13(11)17/h3-8H,18H2,1-2H3,(H,19,21).
What are the key properties of 5-amino-N-[3-chloro-4-(dimethylamino)phenyl]-2-fluorobenzamide?
5-amino-N-[3-chloro-4-(dimethylamino)phenyl]-2-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 5-amino-N-[3-chloro-4-(dimethylamino)phenyl]-2-fluorobenzamide is sourced from PubChem (CID 61102410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).