2-chloro-4-fluoro-N-(furan-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzamide

C18H15ClFNO2S — CID 71804179

IUPAC2-chloro-4-fluoro-N-(furan-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzamide
SMILESO=C(c1ccc(F)cc1Cl)N(CCc1cccs1)Cc1ccoc1
InChIInChI=1S/C18H15ClFNO2S/c19-17-10-14(20)3-4-16(17)18(22)21(11-13-6-8-23-12-13)7-5-15-2-1-9-24-15/h1-4,6,8-10,12H,5,7,11H2
InChIKeyJOKWTGKKBHDHQY-UHFFFAOYSA-N
MW363.84 g/mol
LogP5.02
Rot. Bonds6

About 2-chloro-4-fluoro-N-(furan-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzamide

2-chloro-4-fluoro-N-(furan-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzamide (PubChem CID 71804179) has the molecular formula C18H15ClFNO2S and a molecular weight of 363.84 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-(furan-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-(furan-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzamide
PubChem CID71804179
Molecular FormulaC18H15ClFNO2S
Molecular Weight363.84 g/mol
Exact Mass363.05
IUPAC Name2-chloro-4-fluoro-N-(furan-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzamide
SMILESO=C(c1ccc(F)cc1Cl)N(CCc1cccs1)Cc1ccoc1
InChIInChI=1S/C18H15ClFNO2S/c19-17-10-14(20)3-4-16(17)18(22)21(11-13-6-8-23-12-13)7-5-15-2-1-9-24-15/h1-4,6,8-10,12H,5,7,11H2
InChIKeyJOKWTGKKBHDHQY-UHFFFAOYSA-N
XLogP5.02
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.84
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(furan-3-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 71804069
3-(3-chlorophenyl)-1-(furan-3-ylmethyl)-1-(2-thiophen-2-ylethyl)urea
CID 90583396
N-(furan-3-ylmethyl)-3,4-dimethoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 90583211
N-benzyl-2-chloro-N-(2-chloroethyl)-4-fluorobenzamide
CID 63390884
N-(2-aminoethyl)-N-benzyl-2-chloro-4-fluorobenzamide
CID 104859477
2,4-dichloro-N-(furan-3-ylmethyl)-N-(2-methoxyethyl)benzamide
CID 90582704
N-(furan-3-ylmethyl)-6-methoxy-N-(2-thiophen-2-ylethyl)-1H-indole-2-carboxamide
CID 72717963
N-(furan-3-ylmethyl)-4-morpholin-4-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide
CID 90583280
3-(benzenesulfonyl)-N-(furan-3-ylmethyl)-N-(2-thiophen-2-ylethyl)propanamide
CID 90583258
1-(furan-3-ylmethyl)-3-(3-methylphenyl)-1-(2-thiophen-2-ylethyl)urea
CID 90583385
2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(2-thiophen-2-ylethyl)benzamide
CID 90495692
2-(2-fluorophenoxy)-N-(furan-3-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 71804082

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-(furan-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-(furan-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzamide (CID 71804179) is 2-chloro-4-fluoro-N-(furan-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-(furan-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-(furan-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzamide is O=C(c1ccc(F)cc1Cl)N(CCc1cccs1)Cc1ccoc1.
What is the InChIKey of 2-chloro-4-fluoro-N-(furan-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzamide?
The InChIKey is JOKWTGKKBHDHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFNO2S/c19-17-10-14(20)3-4-16(17)18(22)21(11-13-6-8-23-12-13)7-5-15-2-1-9-24-15/h1-4,6,8-10,12H,5,7,11H2.
What are the key properties of 2-chloro-4-fluoro-N-(furan-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzamide?
2-chloro-4-fluoro-N-(furan-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzamide has a molecular weight of 363.84 g/mol, XLogP of 5.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-(furan-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 71804179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).