5-[1-(2,4-dichlorophenyl)ethylamino]-2-fluorobenzamide

C15H13Cl2FN2O — CID 43705401

IUPAC5-[1-(2,4-dichlorophenyl)ethylamino]-2-fluorobenzamide
SMILESCC(Nc1ccc(F)c(C(N)=O)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2FN2O/c1-8(11-4-2-9(16)6-13(11)17)20-10-3-5-14(18)12(7-10)15(19)21/h2-8,20H,1H3,(H2,19,21)
InChIKeyXNSWZWJIXZCSPC-UHFFFAOYSA-N
MW327.19 g/mol
LogP4.40
Rot. Bonds4

About 5-[1-(2,4-dichlorophenyl)ethylamino]-2-fluorobenzamide

5-[1-(2,4-dichlorophenyl)ethylamino]-2-fluorobenzamide (PubChem CID 43705401) has the molecular formula C15H13Cl2FN2O and a molecular weight of 327.19 g/mol. Its IUPAC name is 5-[1-(2,4-dichlorophenyl)ethylamino]-2-fluorobenzamide.

Molecular Properties

Compound Name5-[1-(2,4-dichlorophenyl)ethylamino]-2-fluorobenzamide
PubChem CID43705401
Molecular FormulaC15H13Cl2FN2O
Molecular Weight327.19 g/mol
Exact Mass326.04
IUPAC Name5-[1-(2,4-dichlorophenyl)ethylamino]-2-fluorobenzamide
SMILESCC(Nc1ccc(F)c(C(N)=O)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2FN2O/c1-8(11-4-2-9(16)6-13(11)17)20-10-3-5-14(18)12(7-10)15(19)21/h2-8,20H,1H3,(H2,19,21)
InChIKeyXNSWZWJIXZCSPC-UHFFFAOYSA-N
XLogP4.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.19
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(2,4-dichlorophenyl)ethylamino]-2-methylbenzenecarbothioamide
CID 81267977
5-[1-(2,5-difluorophenyl)ethylamino]-2-methylbenzamide
CID 56788859
2-fluoro-5-[1-(5-methylthiophen-2-yl)ethylamino]benzamide
CID 43705343
N-[1-(2,4-dichlorophenyl)ethyl]-4-propan-2-ylaniline
CID 43102770
3,5-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline
CID 43099454
2-[1-(2,4-dichlorophenyl)ethylamino]-5-fluorobenzenecarbothioamide
CID 63674541
2-chloro-5-[1-(2,5-difluorophenyl)ethylamino]benzoic acid
CID 43736287
3-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-4-nitroaniline
CID 82865314
2-[1-(2,4-dichlorophenyl)ethylamino]-6-fluorobenzenecarbothioamide
CID 79517110
3-[1-(2,4-dichlorophenyl)ethylamino]-N-methylbenzamide
CID 43100379
2-[1-(2,4-dichlorophenyl)ethylamino]benzenecarbothioamide
CID 43102436
5-(2-aminopropanoylamino)-2-fluorobenzamide
CID 43706569

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,4-dichlorophenyl)ethylamino]-2-fluorobenzamide?
The IUPAC name of 5-[1-(2,4-dichlorophenyl)ethylamino]-2-fluorobenzamide (CID 43705401) is 5-[1-(2,4-dichlorophenyl)ethylamino]-2-fluorobenzamide.
What is the SMILES notation for 5-[1-(2,4-dichlorophenyl)ethylamino]-2-fluorobenzamide?
The canonical SMILES for 5-[1-(2,4-dichlorophenyl)ethylamino]-2-fluorobenzamide is CC(Nc1ccc(F)c(C(N)=O)c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 5-[1-(2,4-dichlorophenyl)ethylamino]-2-fluorobenzamide?
The InChIKey is XNSWZWJIXZCSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FN2O/c1-8(11-4-2-9(16)6-13(11)17)20-10-3-5-14(18)12(7-10)15(19)21/h2-8,20H,1H3,(H2,19,21).
What are the key properties of 5-[1-(2,4-dichlorophenyl)ethylamino]-2-fluorobenzamide?
5-[1-(2,4-dichlorophenyl)ethylamino]-2-fluorobenzamide has a molecular weight of 327.19 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,4-dichlorophenyl)ethylamino]-2-fluorobenzamide is sourced from PubChem (CID 43705401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).