5-amino-N-(2-chloro-4-fluorophenyl)-2-(dimethylamino)benzamide

C15H15ClFN3O — CID 61095146

IUPAC5-amino-N-(2-chloro-4-fluorophenyl)-2-(dimethylamino)benzamide
SMILESCN(C)c1ccc(N)cc1C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C15H15ClFN3O/c1-20(2)14-6-4-10(18)8-11(14)15(21)19-13-5-3-9(17)7-12(13)16/h3-8H,18H2,1-2H3,(H,19,21)
InChIKeyZVZMKVMIKMULGI-UHFFFAOYSA-N
MW307.76 g/mol
LogP3.38
Rot. Bonds3

About 5-amino-N-(2-chloro-4-fluorophenyl)-2-(dimethylamino)benzamide

5-amino-N-(2-chloro-4-fluorophenyl)-2-(dimethylamino)benzamide (PubChem CID 61095146) has the molecular formula C15H15ClFN3O and a molecular weight of 307.76 g/mol. Its IUPAC name is 5-amino-N-(2-chloro-4-fluorophenyl)-2-(dimethylamino)benzamide.

Molecular Properties

Compound Name5-amino-N-(2-chloro-4-fluorophenyl)-2-(dimethylamino)benzamide
PubChem CID61095146
Molecular FormulaC15H15ClFN3O
Molecular Weight307.76 g/mol
Exact Mass307.09
IUPAC Name5-amino-N-(2-chloro-4-fluorophenyl)-2-(dimethylamino)benzamide
SMILESCN(C)c1ccc(N)cc1C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C15H15ClFN3O/c1-20(2)14-6-4-10(18)8-11(14)15(21)19-13-5-3-9(17)7-12(13)16/h3-8H,18H2,1-2H3,(H,19,21)
InChIKeyZVZMKVMIKMULGI-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-chloro-N-(2-chloro-4-fluorophenyl)benzamide
CID 29079625
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CID 65482639
5-amino-N-(2-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzamide
CID 103295873
5-amino-N-(2-bromo-5-chlorophenyl)-2-(dimethylamino)benzamide
CID 81252329
5-amino-2-(dimethylamino)-N-(3-fluoro-4-pyridinyl)benzamide
CID 107594537
5-amino-2-(dimethylamino)-N-(2,5-dimethylphenyl)benzamide
CID 61089997
2-amino-N-[5-chloro-2-(dimethylamino)phenyl]-5-fluorobenzamide
CID 43710251
5-amino-N-[3-chloro-4-(dimethylamino)phenyl]-2-fluorobenzamide
CID 61102410
5-amino-N-[2-(difluoromethoxy)phenyl]-2-(dimethylamino)benzamide
CID 91683152
4-amino-2-[(2-chloro-4-fluorobenzoyl)amino]benzoic acid
CID 63116238
2-amino-N-(2-chloro-4-fluorophenyl)-5-hydroxybenzamide
CID 107073989
5-amino-N-(2-bromo-5-methylphenyl)-2-(dimethylamino)benzamide
CID 82744970

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-chloro-4-fluorophenyl)-2-(dimethylamino)benzamide?
The IUPAC name of 5-amino-N-(2-chloro-4-fluorophenyl)-2-(dimethylamino)benzamide (CID 61095146) is 5-amino-N-(2-chloro-4-fluorophenyl)-2-(dimethylamino)benzamide.
What is the SMILES notation for 5-amino-N-(2-chloro-4-fluorophenyl)-2-(dimethylamino)benzamide?
The canonical SMILES for 5-amino-N-(2-chloro-4-fluorophenyl)-2-(dimethylamino)benzamide is CN(C)c1ccc(N)cc1C(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of 5-amino-N-(2-chloro-4-fluorophenyl)-2-(dimethylamino)benzamide?
The InChIKey is ZVZMKVMIKMULGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O/c1-20(2)14-6-4-10(18)8-11(14)15(21)19-13-5-3-9(17)7-12(13)16/h3-8H,18H2,1-2H3,(H,19,21).
What are the key properties of 5-amino-N-(2-chloro-4-fluorophenyl)-2-(dimethylamino)benzamide?
5-amino-N-(2-chloro-4-fluorophenyl)-2-(dimethylamino)benzamide 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-(2-chloro-4-fluorophenyl)-2-(dimethylamino)benzamide is sourced from PubChem (CID 61095146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).