3-(N-acetyl-2,3-dichloroanilino)-N-(pyridin-3-ylmethyl)propanamide

C17H17Cl2N3O2 — CID 113134300

IUPAC3-(N-acetyl-2,3-dichloroanilino)-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(=O)N(CCC(=O)NCc1cccnc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C17H17Cl2N3O2/c1-12(23)22(15-6-2-5-14(18)17(15)19)9-7-16(24)21-11-13-4-3-8-20-10-13/h2-6,8,10H,7,9,11H2,1H3,(H,21,24)
InChIKeyUFRYTNDFSMSMHS-UHFFFAOYSA-N
MW366.25 g/mol
LogP3.45
Rot. Bonds6

About 3-(N-acetyl-2,3-dichloroanilino)-N-(pyridin-3-ylmethyl)propanamide

3-(N-acetyl-2,3-dichloroanilino)-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 113134300) has the molecular formula C17H17Cl2N3O2 and a molecular weight of 366.25 g/mol. Its IUPAC name is 3-(N-acetyl-2,3-dichloroanilino)-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,3-dichloroanilino)-N-(pyridin-3-ylmethyl)propanamide
PubChem CID113134300
Molecular FormulaC17H17Cl2N3O2
Molecular Weight366.25 g/mol
Exact Mass365.07
IUPAC Name3-(N-acetyl-2,3-dichloroanilino)-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(=O)N(CCC(=O)NCc1cccnc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C17H17Cl2N3O2/c1-12(23)22(15-6-2-5-14(18)17(15)19)9-7-16(24)21-11-13-4-3-8-20-10-13/h2-6,8,10H,7,9,11H2,1H3,(H,21,24)
InChIKeyUFRYTNDFSMSMHS-UHFFFAOYSA-N
XLogP3.45
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-2,3-dichloroanilino)-N-benzylpropanamide
CID 113134286
3-(N-acetyl-4-ethylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 113125365
3-(N-acetyl-2-ethyl-6-methylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 113125538
3-(N-acetyl-2-morpholin-4-ylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 113132180
3-(2,6-dichlorophenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 100600054
3-(N-acetyl-2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide
CID 113134275
3-(N-acetyl-2,3-dichloroanilino)-N-(2-chlorophenyl)propanamide
CID 113134341
2-(2,3-dichloroanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 108999597
3-[acetyl(butan-2-yl)amino]-N-(pyridin-3-ylmethyl)propanamide
CID 113116146
3-(dipropylamino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023509
N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]acetamide
CID 113063828
2-(N-acetylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 113167103

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,3-dichloroanilino)-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-(N-acetyl-2,3-dichloroanilino)-N-(pyridin-3-ylmethyl)propanamide (CID 113134300) is 3-(N-acetyl-2,3-dichloroanilino)-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2,3-dichloroanilino)-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2,3-dichloroanilino)-N-(pyridin-3-ylmethyl)propanamide is CC(=O)N(CCC(=O)NCc1cccnc1)c1cccc(Cl)c1Cl.
What is the InChIKey of 3-(N-acetyl-2,3-dichloroanilino)-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is UFRYTNDFSMSMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O2/c1-12(23)22(15-6-2-5-14(18)17(15)19)9-7-16(24)21-11-13-4-3-8-20-10-13/h2-6,8,10H,7,9,11H2,1H3,(H,21,24).
What are the key properties of 3-(N-acetyl-2,3-dichloroanilino)-N-(pyridin-3-ylmethyl)propanamide?
3-(N-acetyl-2,3-dichloroanilino)-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 366.25 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2,3-dichloroanilino)-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 113134300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).