2-(2,3-dichloroanilino)-N-(pyridin-3-ylmethyl)acetamide

C14H13Cl2N3O — CID 108999597

IUPAC2-(2,3-dichloroanilino)-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(CNc1cccc(Cl)c1Cl)NCc1cccnc1
InChIInChI=1S/C14H13Cl2N3O/c15-11-4-1-5-12(14(11)16)18-9-13(20)19-8-10-3-2-6-17-7-10/h1-7,18H,8-9H2,(H,19,20)
InChIKeyZBOVGDMSRIXOLV-UHFFFAOYSA-N
MW310.18 g/mol
LogP3.12
Rot. Bonds5

About 2-(2,3-dichloroanilino)-N-(pyridin-3-ylmethyl)acetamide

2-(2,3-dichloroanilino)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 108999597) has the molecular formula C14H13Cl2N3O and a molecular weight of 310.18 g/mol. Its IUPAC name is 2-(2,3-dichloroanilino)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dichloroanilino)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID108999597
Molecular FormulaC14H13Cl2N3O
Molecular Weight310.18 g/mol
Exact Mass309.04
IUPAC Name2-(2,3-dichloroanilino)-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(CNc1cccc(Cl)c1Cl)NCc1cccnc1
InChIInChI=1S/C14H13Cl2N3O/c15-11-4-1-5-12(14(11)16)18-9-13(20)19-8-10-3-2-6-17-7-10/h1-7,18H,8-9H2,(H,19,20)
InChIKeyZBOVGDMSRIXOLV-UHFFFAOYSA-N
XLogP3.12
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 108999506
3-(2,6-dichlorophenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 100600054
2-chloro-6-fluoro-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]benzamide
CID 112993068
N-(2,3-dichlorophenyl)-3-pyridin-3-ylpropanamide
CID 112519927
2-(2-chloro-4,6-dimethylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 108999536
5-chloro-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide
CID 2995794
1-(3-chloro-2-fluorophenyl)-3-(pyridin-3-ylmethyl)urea
CID 47032706
2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068
3-(N-acetyl-2,3-dichloroanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 113134300
methyl 5,7-dichloro-4-[[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]amino]naphthalene-2-carboxylate
CID 71283621
N'-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide
CID 44998655
N-(pyridin-3-ylmethyl)-2-(quinazolin-4-ylamino)acetamide
CID 110436040

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichloroanilino)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(2,3-dichloroanilino)-N-(pyridin-3-ylmethyl)acetamide (CID 108999597) is 2-(2,3-dichloroanilino)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(2,3-dichloroanilino)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(2,3-dichloroanilino)-N-(pyridin-3-ylmethyl)acetamide is O=C(CNc1cccc(Cl)c1Cl)NCc1cccnc1.
What is the InChIKey of 2-(2,3-dichloroanilino)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is ZBOVGDMSRIXOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O/c15-11-4-1-5-12(14(11)16)18-9-13(20)19-8-10-3-2-6-17-7-10/h1-7,18H,8-9H2,(H,19,20).
What are the key properties of 2-(2,3-dichloroanilino)-N-(pyridin-3-ylmethyl)acetamide?
2-(2,3-dichloroanilino)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 310.18 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichloroanilino)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 108999597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).