N-(4-chloro-3-fluorophenyl)-2-(ethylamino)-3-fluorobenzamide

C15H13ClF2N2O — CID 62661409

IUPACN-(4-chloro-3-fluorophenyl)-2-(ethylamino)-3-fluorobenzamide
SMILESCCNc1c(F)cccc1C(=O)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C15H13ClF2N2O/c1-2-19-14-10(4-3-5-12(14)17)15(21)20-9-6-7-11(16)13(18)8-9/h3-8,19H,2H2,1H3,(H,20,21)
InChIKeySPQYAGUMFWEHSR-UHFFFAOYSA-N
MW310.73 g/mol
LogP4.30
Rot. Bonds4

About N-(4-chloro-3-fluorophenyl)-2-(ethylamino)-3-fluorobenzamide

N-(4-chloro-3-fluorophenyl)-2-(ethylamino)-3-fluorobenzamide (PubChem CID 62661409) has the molecular formula C15H13ClF2N2O and a molecular weight of 310.73 g/mol. Its IUPAC name is N-(4-chloro-3-fluorophenyl)-2-(ethylamino)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(4-chloro-3-fluorophenyl)-2-(ethylamino)-3-fluorobenzamide
PubChem CID62661409
Molecular FormulaC15H13ClF2N2O
Molecular Weight310.73 g/mol
Exact Mass310.07
IUPAC NameN-(4-chloro-3-fluorophenyl)-2-(ethylamino)-3-fluorobenzamide
SMILESCCNc1c(F)cccc1C(=O)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C15H13ClF2N2O/c1-2-19-14-10(4-3-5-12(14)17)15(21)20-9-6-7-11(16)13(18)8-9/h3-8,19H,2H2,1H3,(H,20,21)
InChIKeySPQYAGUMFWEHSR-UHFFFAOYSA-N
XLogP4.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.73
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-3-fluorophenyl)-2-(ethylamino)benzamide
CID 62177542
N-(4-chlorophenyl)-3-fluoro-2-(propylamino)benzamide
CID 63501108
N-(3,4-dichlorophenyl)-3-fluoro-2-hydrazinylbenzamide
CID 62660094
N-ethyl-2-(ethylamino)-3-fluorobenzamide
CID 62648907
N-(4-chloro-3-fluorophenyl)-2-iodo-3-methylbenzamide
CID 47227866
N-(4,6-dimethylpyrimidin-2-yl)-2-(ethylamino)-3-fluorobenzamide
CID 62649344
N-(4-chloro-3-fluorophenyl)-2-iodobenzamide
CID 47227907
2-bromo-N-(4-chloro-3-fluorophenyl)benzamide
CID 47227901
5-bromo-N-(4-chloro-3-fluorophenyl)-2-(ethylamino)pyridine-3-carboxamide
CID 63501333
N-(4-chloro-3-fluorophenyl)-2-fluoro-4-hydroxybenzamide
CID 103941277
3-fluoro-2-(propylamino)-N-pyridin-4-ylbenzamide
CID 62650270
N-(4-chloro-3-fluorophenyl)-2-(propan-2-ylamino)benzamide
CID 63107936

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-fluorophenyl)-2-(ethylamino)-3-fluorobenzamide?
The IUPAC name of N-(4-chloro-3-fluorophenyl)-2-(ethylamino)-3-fluorobenzamide (CID 62661409) is N-(4-chloro-3-fluorophenyl)-2-(ethylamino)-3-fluorobenzamide.
What is the SMILES notation for N-(4-chloro-3-fluorophenyl)-2-(ethylamino)-3-fluorobenzamide?
The canonical SMILES for N-(4-chloro-3-fluorophenyl)-2-(ethylamino)-3-fluorobenzamide is CCNc1c(F)cccc1C(=O)Nc1ccc(Cl)c(F)c1.
What is the InChIKey of N-(4-chloro-3-fluorophenyl)-2-(ethylamino)-3-fluorobenzamide?
The InChIKey is SPQYAGUMFWEHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2N2O/c1-2-19-14-10(4-3-5-12(14)17)15(21)20-9-6-7-11(16)13(18)8-9/h3-8,19H,2H2,1H3,(H,20,21).
What are the key properties of N-(4-chloro-3-fluorophenyl)-2-(ethylamino)-3-fluorobenzamide?
N-(4-chloro-3-fluorophenyl)-2-(ethylamino)-3-fluorobenzamide has a molecular weight of 310.73 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-fluorophenyl)-2-(ethylamino)-3-fluorobenzamide is sourced from PubChem (CID 62661409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).