3-(3,4-dichloroanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide

C17H17Cl2FN2O — CID 109024765

IUPAC3-(3,4-dichloroanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
SMILESO=C(CCNc1ccc(Cl)c(Cl)c1)NCCc1ccccc1F
InChIInChI=1S/C17H17Cl2FN2O/c18-14-6-5-13(11-15(14)19)21-10-8-17(23)22-9-7-12-3-1-2-4-16(12)20/h1-6,11,21H,7-10H2,(H,22,23)
InChIKeyXCYTVYWIIOISTC-UHFFFAOYSA-N
MW355.24 g/mol
LogP4.29
Rot. Bonds7

About 3-(3,4-dichloroanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide

3-(3,4-dichloroanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide (PubChem CID 109024765) has the molecular formula C17H17Cl2FN2O and a molecular weight of 355.24 g/mol. Its IUPAC name is 3-(3,4-dichloroanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dichloroanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
PubChem CID109024765
Molecular FormulaC17H17Cl2FN2O
Molecular Weight355.24 g/mol
Exact Mass354.07
IUPAC Name3-(3,4-dichloroanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
SMILESO=C(CCNc1ccc(Cl)c(Cl)c1)NCCc1ccccc1F
InChIInChI=1S/C17H17Cl2FN2O/c18-14-6-5-13(11-15(14)19)21-10-8-17(23)22-9-7-12-3-1-2-4-16(12)20/h1-6,11,21H,7-10H2,(H,22,23)
InChIKeyXCYTVYWIIOISTC-UHFFFAOYSA-N
XLogP4.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.24
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-3-(4-propan-2-ylanilino)propanamide
CID 109024697
3-(4-ethylanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 109024693
3-(3,4-dichloroanilino)-N-propylpropanamide
CID 109011460
3-(4-chloro-2,5-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 109024771
2-(3,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 109000392
3-(3-chloro-4-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 46679807
3-(3,4-dichloroanilino)-N-(2-methoxyethyl)propanamide
CID 109015130
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
3-(3,4-dichloroanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 109025597
N-(3,4-dichlorophenyl)-3-(3,4-difluoroanilino)propanamide
CID 109042632
2-(3-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 109000360
3-(4-acetamidoanilino)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide
CID 109033424

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichloroanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide?
The IUPAC name of 3-(3,4-dichloroanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide (CID 109024765) is 3-(3,4-dichloroanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-(3,4-dichloroanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide?
The canonical SMILES for 3-(3,4-dichloroanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide is O=C(CCNc1ccc(Cl)c(Cl)c1)NCCc1ccccc1F.
What is the InChIKey of 3-(3,4-dichloroanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide?
The InChIKey is XCYTVYWIIOISTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2FN2O/c18-14-6-5-13(11-15(14)19)21-10-8-17(23)22-9-7-12-3-1-2-4-16(12)20/h1-6,11,21H,7-10H2,(H,22,23).
What are the key properties of 3-(3,4-dichloroanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide?
3-(3,4-dichloroanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide has a molecular weight of 355.24 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichloroanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 109024765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).