2-[acetyl(pyridin-4-ylmethyl)amino]-N-[(4-chlorophenyl)methyl]acetamide

C17H18ClN3O2 — CID 113163778

IUPAC2-[acetyl(pyridin-4-ylmethyl)amino]-N-[(4-chlorophenyl)methyl]acetamide
SMILESCC(=O)N(CC(=O)NCc1ccc(Cl)cc1)Cc1ccncc1
InChIInChI=1S/C17H18ClN3O2/c1-13(22)21(11-15-6-8-19-9-7-15)12-17(23)20-10-14-2-4-16(18)5-3-14/h2-9H,10-12H2,1H3,(H,20,23)
InChIKeyDGNDVUBSZHZMRG-UHFFFAOYSA-N
MW331.80 g/mol
LogP2.40
Rot. Bonds6

About 2-[acetyl(pyridin-4-ylmethyl)amino]-N-[(4-chlorophenyl)methyl]acetamide

2-[acetyl(pyridin-4-ylmethyl)amino]-N-[(4-chlorophenyl)methyl]acetamide (PubChem CID 113163778) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 2-[acetyl(pyridin-4-ylmethyl)amino]-N-[(4-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[acetyl(pyridin-4-ylmethyl)amino]-N-[(4-chlorophenyl)methyl]acetamide
PubChem CID113163778
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name2-[acetyl(pyridin-4-ylmethyl)amino]-N-[(4-chlorophenyl)methyl]acetamide
SMILESCC(=O)N(CC(=O)NCc1ccc(Cl)cc1)Cc1ccncc1
InChIInChI=1S/C17H18ClN3O2/c1-13(22)21(11-15-6-8-19-9-7-15)12-17(23)20-10-14-2-4-16(18)5-3-14/h2-9H,10-12H2,1H3,(H,20,23)
InChIKeyDGNDVUBSZHZMRG-UHFFFAOYSA-N
XLogP2.40
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[acetyl-[(4-methylphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide
CID 113161771
2-[acetyl(2-methylpropyl)amino]-N-[(4-chlorophenyl)methyl]acetamide
CID 113158842
2-(N-acetyl-2,4-dichloroanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113179578
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(4-chlorophenyl)acetamide
CID 113162786
2-[acetyl(pyridin-4-ylmethyl)amino]-N-propan-2-ylacetamide
CID 113163745
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-propan-2-ylacetamide
CID 113162680
2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(pyridin-3-ylmethyl)acetamide
CID 113161783
2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide
CID 113162350
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(pyridin-3-ylmethyl)acetamide
CID 113163586
N,N-bis[(4-chlorophenyl)methyl]acetamide
CID 22660922
3-[acetyl(pyridin-4-ylmethyl)amino]-N-(4-chlorophenyl)propanamide
CID 113120649
2-[acetyl(pyridin-4-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide
CID 113163940

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(pyridin-4-ylmethyl)amino]-N-[(4-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-[acetyl(pyridin-4-ylmethyl)amino]-N-[(4-chlorophenyl)methyl]acetamide (CID 113163778) is 2-[acetyl(pyridin-4-ylmethyl)amino]-N-[(4-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[acetyl(pyridin-4-ylmethyl)amino]-N-[(4-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-[acetyl(pyridin-4-ylmethyl)amino]-N-[(4-chlorophenyl)methyl]acetamide is CC(=O)N(CC(=O)NCc1ccc(Cl)cc1)Cc1ccncc1.
What is the InChIKey of 2-[acetyl(pyridin-4-ylmethyl)amino]-N-[(4-chlorophenyl)methyl]acetamide?
The InChIKey is DGNDVUBSZHZMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-13(22)21(11-15-6-8-19-9-7-15)12-17(23)20-10-14-2-4-16(18)5-3-14/h2-9H,10-12H2,1H3,(H,20,23).
What are the key properties of 2-[acetyl(pyridin-4-ylmethyl)amino]-N-[(4-chlorophenyl)methyl]acetamide?
2-[acetyl(pyridin-4-ylmethyl)amino]-N-[(4-chlorophenyl)methyl]acetamide has a molecular weight of 331.80 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(pyridin-4-ylmethyl)amino]-N-[(4-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 113163778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).