N-[(2,4-difluorophenyl)methyl]-N-(5-phenylthiophen-3-yl)acetamide

C19H15F2NOS — CID 67299098

IUPACN-[(2,4-difluorophenyl)methyl]-N-(5-phenylthiophen-3-yl)acetamide
SMILESCC(=O)N(Cc1ccc(F)cc1F)c1csc(-c2ccccc2)c1
InChIInChI=1S/C19H15F2NOS/c1-13(23)22(11-15-7-8-16(20)9-18(15)21)17-10-19(24-12-17)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3
InChIKeyWSGUOENTRAMDKO-UHFFFAOYSA-N
MW343.40 g/mol
LogP5.25
Rot. Bonds4

About N-[(2,4-difluorophenyl)methyl]-N-(5-phenylthiophen-3-yl)acetamide

N-[(2,4-difluorophenyl)methyl]-N-(5-phenylthiophen-3-yl)acetamide (PubChem CID 67299098) has the molecular formula C19H15F2NOS and a molecular weight of 343.40 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-N-(5-phenylthiophen-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-N-(5-phenylthiophen-3-yl)acetamide
PubChem CID67299098
Molecular FormulaC19H15F2NOS
Molecular Weight343.40 g/mol
Exact Mass343.08
IUPAC NameN-[(2,4-difluorophenyl)methyl]-N-(5-phenylthiophen-3-yl)acetamide
SMILESCC(=O)N(Cc1ccc(F)cc1F)c1csc(-c2ccccc2)c1
InChIInChI=1S/C19H15F2NOS/c1-13(23)22(11-15-7-8-16(20)9-18(15)21)17-10-19(24-12-17)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3
InChIKeyWSGUOENTRAMDKO-UHFFFAOYSA-N
XLogP5.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.40
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-(3-fluorophenyl)acetamide
CID 126544337
2-[carboxymethyl-[(2,4-difluorophenyl)methyl]amino]acetic acid
CID 63645803
3-[(2,4-difluorophenyl)methyl-methylamino]-2-methylpropanoic acid
CID 62197976
N-[(2,4-difluorophenyl)methyl]-N,2,2-trimethylpropanamide
CID 60725238
N-[(2,4-difluorophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 134046604
N-[(2,4-difluorophenyl)methyl]-3-fluoro-N-phenylbenzenesulfonamide
CID 46022862
[(2,4-difluorophenyl)methyl-methylamino]methanol
CID 115229150
N-[(2,4-difluorophenyl)methyl]-2-phenoxy-N-[2-(4-phenylphenyl)ethyl]acetamide
CID 141163798
methyl 4-[(N-acetyl-3-fluoroanilino)methyl]-3-fluorobenzoate;methyl 3-fluoro-4-[(3-fluoroanilino)methyl]benzoate
CID 161302937
3-[(2,4-difluorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 55049729
2-(N-acetylanilino)-N-(2,4-difluorophenyl)acetamide
CID 113167233
N-[(2,4-difluorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 134046590

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-(5-phenylthiophen-3-yl)acetamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-(5-phenylthiophen-3-yl)acetamide (CID 67299098) is N-[(2,4-difluorophenyl)methyl]-N-(5-phenylthiophen-3-yl)acetamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-N-(5-phenylthiophen-3-yl)acetamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-N-(5-phenylthiophen-3-yl)acetamide is CC(=O)N(Cc1ccc(F)cc1F)c1csc(-c2ccccc2)c1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-N-(5-phenylthiophen-3-yl)acetamide?
The InChIKey is WSGUOENTRAMDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NOS/c1-13(23)22(11-15-7-8-16(20)9-18(15)21)17-10-19(24-12-17)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-N-(5-phenylthiophen-3-yl)acetamide?
N-[(2,4-difluorophenyl)methyl]-N-(5-phenylthiophen-3-yl)acetamide has a molecular weight of 343.40 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-N-(5-phenylthiophen-3-yl)acetamide is sourced from PubChem (CID 67299098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).