3-(2-chlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propanamide

C16H17ClN2O2 — CID 38535689

IUPAC3-(2-chlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
SMILESCOc1ncccc1CNC(=O)CCc1ccccc1Cl
InChIInChI=1S/C16H17ClN2O2/c1-21-16-13(6-4-10-18-16)11-19-15(20)9-8-12-5-2-3-7-14(12)17/h2-7,10H,8-9,11H2,1H3,(H,19,20)
InChIKeyYGRFFVDUGUYZOF-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.99
Rot. Bonds6

About 3-(2-chlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propanamide

3-(2-chlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propanamide (PubChem CID 38535689) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
PubChem CID38535689
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name3-(2-chlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
SMILESCOc1ncccc1CNC(=O)CCc1ccccc1Cl
InChIInChI=1S/C16H17ClN2O2/c1-21-16-13(6-4-10-18-16)11-19-15(20)9-8-12-5-2-3-7-14(12)17/h2-7,10H,8-9,11H2,1H3,(H,19,20)
InChIKeyYGRFFVDUGUYZOF-UHFFFAOYSA-N
XLogP2.99
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 38534369
4-hydroxy-N-[(2-methoxy-3-pyridinyl)methyl]butanamide
CID 79204552
N-[2-[(2-methoxy-3-pyridinyl)methylamino]-2-oxoethyl]-2-phenylacetamide
CID 37486176
2-(2,6-dimethylphenoxy)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide
CID 37486076
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 37485188
N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 2397896
2-(4-butylphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide
CID 37485449
3-[(4-methoxyphenyl)carbamoylamino]-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 46598865
1-[(2-chlorophenyl)methyl]-3-[(2-methoxy-3-pyridinyl)methyl]-1,2-dimethylguanidine
CID 111295089
N-[(2-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2679607
3-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]propanamide
CID 38089852
N-benzyl-4-[2-[3-(2-chlorophenyl)propanoyl]hydrazinyl]-4-oxobutanamide
CID 17179143

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propanamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propanamide (CID 38535689) is 3-(2-chlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propanamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propanamide is COc1ncccc1CNC(=O)CCc1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propanamide?
The InChIKey is YGRFFVDUGUYZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-21-16-13(6-4-10-18-16)11-19-15(20)9-8-12-5-2-3-7-14(12)17/h2-7,10H,8-9,11H2,1H3,(H,19,20).
What are the key properties of 3-(2-chlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propanamide?
3-(2-chlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propanamide has a molecular weight of 304.78 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propanamide is sourced from PubChem (CID 38535689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).