N-[2-(2,4-dichlorophenyl)ethyl]-3-pyridin-3-ylpropanamide

C16H16Cl2N2O — CID 9269490

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-3-pyridin-3-ylpropanamide
SMILESO=C(CCc1cccnc1)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H16Cl2N2O/c17-14-5-4-13(15(18)10-14)7-9-20-16(21)6-3-12-2-1-8-19-11-12/h1-2,4-5,8,10-11H,3,6-7,9H2,(H,20,21)
InChIKeyVYBLKDOOWFGHKH-UHFFFAOYSA-N
MW323.22 g/mol
LogP3.68
Rot. Bonds6

About N-[2-(2,4-dichlorophenyl)ethyl]-3-pyridin-3-ylpropanamide

N-[2-(2,4-dichlorophenyl)ethyl]-3-pyridin-3-ylpropanamide (PubChem CID 9269490) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-3-pyridin-3-ylpropanamide
PubChem CID9269490
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-3-pyridin-3-ylpropanamide
SMILESO=C(CCc1cccnc1)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H16Cl2N2O/c17-14-5-4-13(15(18)10-14)7-9-20-16(21)6-3-12-2-1-8-19-11-12/h1-2,4-5,8,10-11H,3,6-7,9H2,(H,20,21)
InChIKeyVYBLKDOOWFGHKH-UHFFFAOYSA-N
XLogP3.68
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,4-dichlorophenyl)ethyl]-N'-(pyridin-3-ylmethyl)propanediamide
CID 108947644
N-[2-(2,4-dichlorophenyl)ethyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110416767
N-[2-(3-chlorophenyl)ethyl]-4-pyridin-3-ylbutanamide
CID 110416616
N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 17472910
N-[2-(2,4-dichlorophenyl)ethyl]-3-(1H-imidazol-5-yl)propanamide
CID 110697902
2-(2,5-dichlorophenoxy)-N-(2-pyridin-3-ylethyl)acetamide
CID 24672717
4-[2-(2,4-dichlorophenyl)ethylamino]-4-oxobutanoic acid
CID 9151806
2-[(2,4-dichlorophenyl)methyl]-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine
CID 111198392
N-[2-(2-hydroxyphenyl)ethyl]-4-pyridin-3-ylbutanamide
CID 110614904
N-(2-phenylethyl)-4-pyridin-3-ylbutanamide
CID 110410890
(2S)-2-hydroxy-4-(3-pyridin-3-ylpropanoylamino)butanoic acid
CID 107834523
1-[2-(2,4-dichlorophenyl)ethyl]-3-(2-phenylethyl)urea
CID 108989118

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-3-pyridin-3-ylpropanamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-3-pyridin-3-ylpropanamide (CID 9269490) is N-[2-(2,4-dichlorophenyl)ethyl]-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-3-pyridin-3-ylpropanamide is O=C(CCc1cccnc1)NCCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-3-pyridin-3-ylpropanamide?
The InChIKey is VYBLKDOOWFGHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c17-14-5-4-13(15(18)10-14)7-9-20-16(21)6-3-12-2-1-8-19-11-12/h1-2,4-5,8,10-11H,3,6-7,9H2,(H,20,21).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-3-pyridin-3-ylpropanamide?
N-[2-(2,4-dichlorophenyl)ethyl]-3-pyridin-3-ylpropanamide has a molecular weight of 323.22 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 9269490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).