3-(2,3-dichlorophenyl)-N-(4-fluoro-2-methylphenyl)propanamide

C16H14Cl2FNO — CID 38912265

IUPAC3-(2,3-dichlorophenyl)-N-(4-fluoro-2-methylphenyl)propanamide
SMILESCc1cc(F)ccc1NC(=O)CCc1cccc(Cl)c1Cl
InChIInChI=1S/C16H14Cl2FNO/c1-10-9-12(19)6-7-14(10)20-15(21)8-5-11-3-2-4-13(17)16(11)18/h2-4,6-7,9H,5,8H2,1H3,(H,20,21)
InChIKeyRYDLGWKDJSZEQD-UHFFFAOYSA-N
MW326.20 g/mol
LogP5.01
Rot. Bonds4

About 3-(2,3-dichlorophenyl)-N-(4-fluoro-2-methylphenyl)propanamide

3-(2,3-dichlorophenyl)-N-(4-fluoro-2-methylphenyl)propanamide (PubChem CID 38912265) has the molecular formula C16H14Cl2FNO and a molecular weight of 326.20 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-N-(4-fluoro-2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-N-(4-fluoro-2-methylphenyl)propanamide
PubChem CID38912265
Molecular FormulaC16H14Cl2FNO
Molecular Weight326.20 g/mol
Exact Mass325.04
IUPAC Name3-(2,3-dichlorophenyl)-N-(4-fluoro-2-methylphenyl)propanamide
SMILESCc1cc(F)ccc1NC(=O)CCc1cccc(Cl)c1Cl
InChIInChI=1S/C16H14Cl2FNO/c1-10-9-12(19)6-7-14(10)20-15(21)8-5-11-3-2-4-13(17)16(11)18/h2-4,6-7,9H,5,8H2,1H3,(H,20,21)
InChIKeyRYDLGWKDJSZEQD-UHFFFAOYSA-N
XLogP5.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.20
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-fluoro-2-methylphenyl)-3-phenylpropanamide
CID 7751880
3-(2,3-dichlorophenyl)-N-(2-ethylphenyl)propanamide
CID 38910581
3-(2,3-dichlorophenyl)-N-(2-iodophenyl)propanamide
CID 38886351
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-(2,3-dichlorophenyl)propanamide
CID 38926559
3-(2,3-dichlorophenyl)-N-phenylpropanamide
CID 38885504
2-(2-chlorophenyl)sulfanyl-N-(4-fluoro-2-methylphenyl)acetamide
CID 31456340
N-(2-chloro-4-fluorophenyl)-3-(2-ethoxyphenyl)propanamide
CID 32990930
5-(4-fluoro-2-methylanilino)-5-oxopentanoic acid
CID 17283084
N-(4-fluoro-2-methylphenyl)hexanamide
CID 17069266
N-(2,3-dichlorophenyl)-3-(2-methoxyphenyl)propanamide
CID 26694107
N-[2-(4-fluoro-2-methylanilino)-2-oxoethyl]-2-methylpropanamide
CID 50875807
methyl 2-[4-[3-(2-chlorophenyl)propanoylamino]-3-methylphenoxy]acetate
CID 55916365

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-N-(4-fluoro-2-methylphenyl)propanamide?
The IUPAC name of 3-(2,3-dichlorophenyl)-N-(4-fluoro-2-methylphenyl)propanamide (CID 38912265) is 3-(2,3-dichlorophenyl)-N-(4-fluoro-2-methylphenyl)propanamide.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-N-(4-fluoro-2-methylphenyl)propanamide?
The canonical SMILES for 3-(2,3-dichlorophenyl)-N-(4-fluoro-2-methylphenyl)propanamide is Cc1cc(F)ccc1NC(=O)CCc1cccc(Cl)c1Cl.
What is the InChIKey of 3-(2,3-dichlorophenyl)-N-(4-fluoro-2-methylphenyl)propanamide?
The InChIKey is RYDLGWKDJSZEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2FNO/c1-10-9-12(19)6-7-14(10)20-15(21)8-5-11-3-2-4-13(17)16(11)18/h2-4,6-7,9H,5,8H2,1H3,(H,20,21).
What are the key properties of 3-(2,3-dichlorophenyl)-N-(4-fluoro-2-methylphenyl)propanamide?
3-(2,3-dichlorophenyl)-N-(4-fluoro-2-methylphenyl)propanamide has a molecular weight of 326.20 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-N-(4-fluoro-2-methylphenyl)propanamide is sourced from PubChem (CID 38912265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).