3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(pyridin-2-ylmethyl)propanamide

C18H20ClN3O2 — CID 113119443

IUPAC3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(pyridin-2-ylmethyl)propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccccn1)Cc1ccccc1Cl
InChIInChI=1S/C18H20ClN3O2/c1-14(23)22(13-15-6-2-3-8-17(15)19)11-9-18(24)21-12-16-7-4-5-10-20-16/h2-8,10H,9,11-13H2,1H3,(H,21,24)
InChIKeyAZZHFMWHTDBDKH-UHFFFAOYSA-N
MW345.83 g/mol
LogP2.79
Rot. Bonds7

About 3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(pyridin-2-ylmethyl)propanamide

3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 113119443) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(pyridin-2-ylmethyl)propanamide
PubChem CID113119443
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(pyridin-2-ylmethyl)propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccccn1)Cc1ccccc1Cl
InChIInChI=1S/C18H20ClN3O2/c1-14(23)22(13-15-6-2-3-8-17(15)19)11-9-18(24)21-12-16-7-4-5-10-20-16/h2-8,10H,9,11-13H2,1H3,(H,21,24)
InChIKeyAZZHFMWHTDBDKH-UHFFFAOYSA-N
XLogP2.79
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl(pyridin-2-ylmethyl)amino]-N-[(2-methylphenyl)methyl]propanamide
CID 113120171
3-[acetyl(butyl)amino]-N-(pyridin-2-ylmethyl)propanamide
CID 113115749
3-[acetyl(pyridin-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]propanamide
CID 113120177
3-[acetyl(pyridin-2-ylmethyl)amino]-N-(furan-2-ylmethyl)propanamide
CID 113120169
3-[acetyl(pyridin-2-ylmethyl)amino]-N-prop-2-enylpropanamide
CID 113120148
3-(N-acetyl-2,6-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 113124845
3-(N-acetyl-5-chloro-2-methylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 113127697
3-[acetyl(pyridin-2-ylmethyl)amino]-N-pentylpropanamide
CID 113120223
3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-[(2-chlorophenyl)methyl]propanamide
CID 113119893
3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2,6-dimethylphenyl)propanamide
CID 113119485
3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3,5-dichlorophenyl)propanamide
CID 113120324
3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3-phenylpropyl)propanamide
CID 113120216

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(pyridin-2-ylmethyl)propanamide (CID 113119443) is 3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(pyridin-2-ylmethyl)propanamide is CC(=O)N(CCC(=O)NCc1ccccn1)Cc1ccccc1Cl.
What is the InChIKey of 3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is AZZHFMWHTDBDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-14(23)22(13-15-6-2-3-8-17(15)19)11-9-18(24)21-12-16-7-4-5-10-20-16/h2-8,10H,9,11-13H2,1H3,(H,21,24).
What are the key properties of 3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(pyridin-2-ylmethyl)propanamide?
3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 345.83 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 113119443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).