2-(3,4-dichlorophenyl)-N-(1-pyridin-2-ylethyl)acetamide

C15H14Cl2N2O — CID 47097455

IUPAC2-(3,4-dichlorophenyl)-N-(1-pyridin-2-ylethyl)acetamide
SMILESCC(NC(=O)Cc1ccc(Cl)c(Cl)c1)c1ccccn1
InChIInChI=1S/C15H14Cl2N2O/c1-10(14-4-2-3-7-18-14)19-15(20)9-11-5-6-12(16)13(17)8-11/h2-8,10H,9H2,1H3,(H,19,20)
InChIKeyVNIUBBUGSWPUJD-UHFFFAOYSA-N
MW309.20 g/mol
LogP3.81
Rot. Bonds4

About 2-(3,4-dichlorophenyl)-N-(1-pyridin-2-ylethyl)acetamide

2-(3,4-dichlorophenyl)-N-(1-pyridin-2-ylethyl)acetamide (PubChem CID 47097455) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-(1-pyridin-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-(1-pyridin-2-ylethyl)acetamide
PubChem CID47097455
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC Name2-(3,4-dichlorophenyl)-N-(1-pyridin-2-ylethyl)acetamide
SMILESCC(NC(=O)Cc1ccc(Cl)c(Cl)c1)c1ccccn1
InChIInChI=1S/C15H14Cl2N2O/c1-10(14-4-2-3-7-18-14)19-15(20)9-11-5-6-12(16)13(17)8-11/h2-8,10H,9H2,1H3,(H,19,20)
InChIKeyVNIUBBUGSWPUJD-UHFFFAOYSA-N
XLogP3.81
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 25337037
2-(4-methylphenyl)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 25337547
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 41038380
2-(2-hydroxyphenyl)-N-(1-pyridin-2-ylethyl)acetamide
CID 78990806
N-[(3,4-dichlorophenyl)methyl]-1-pyridin-2-ylethanamine
CID 43181276
(1S)-N-[(3,4-dichlorophenyl)methyl]-1-pyridin-2-ylethanamine
CID 28647738
2-bromo-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 81401514
2-(5-chloro-2-methoxyphenyl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 51648180
2-(3,4-dichlorophenyl)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 4883247
2-(propan-2-ylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407440
3-amino-N-(1-pyridin-2-ylethyl)butanamide;dihydrochloride
CID 119830348

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-(1-pyridin-2-ylethyl)acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-(1-pyridin-2-ylethyl)acetamide (CID 47097455) is 2-(3,4-dichlorophenyl)-N-(1-pyridin-2-ylethyl)acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-(1-pyridin-2-ylethyl)acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-(1-pyridin-2-ylethyl)acetamide is CC(NC(=O)Cc1ccc(Cl)c(Cl)c1)c1ccccn1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-(1-pyridin-2-ylethyl)acetamide?
The InChIKey is VNIUBBUGSWPUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c1-10(14-4-2-3-7-18-14)19-15(20)9-11-5-6-12(16)13(17)8-11/h2-8,10H,9H2,1H3,(H,19,20).
What are the key properties of 2-(3,4-dichlorophenyl)-N-(1-pyridin-2-ylethyl)acetamide?
2-(3,4-dichlorophenyl)-N-(1-pyridin-2-ylethyl)acetamide has a molecular weight of 309.20 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-(1-pyridin-2-ylethyl)acetamide is sourced from PubChem (CID 47097455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).