3-(3-chlorophenyl)-N-(4-methyl-3-pyridinyl)propanamide

C15H15ClN2O — CID 154859407

IUPAC3-(3-chlorophenyl)-N-(4-methyl-3-pyridinyl)propanamide
SMILESCc1ccncc1NC(=O)CCc1cccc(Cl)c1
InChIInChI=1S/C15H15ClN2O/c1-11-7-8-17-10-14(11)18-15(19)6-5-12-3-2-4-13(16)9-12/h2-4,7-10H,5-6H2,1H3,(H,18,19)
InChIKeyCQMIDRCPLJZCFD-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.61
Rot. Bonds4

About 3-(3-chlorophenyl)-N-(4-methyl-3-pyridinyl)propanamide

3-(3-chlorophenyl)-N-(4-methyl-3-pyridinyl)propanamide (PubChem CID 154859407) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-(4-methyl-3-pyridinyl)propanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-(4-methyl-3-pyridinyl)propanamide
PubChem CID154859407
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name3-(3-chlorophenyl)-N-(4-methyl-3-pyridinyl)propanamide
SMILESCc1ccncc1NC(=O)CCc1cccc(Cl)c1
InChIInChI=1S/C15H15ClN2O/c1-11-7-8-17-10-14(11)18-15(19)6-5-12-3-2-4-13(16)9-12/h2-4,7-10H,5-6H2,1H3,(H,18,19)
InChIKeyCQMIDRCPLJZCFD-UHFFFAOYSA-N
XLogP3.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-(4-methyl-3-pyridinyl)propanamide?
The IUPAC name of 3-(3-chlorophenyl)-N-(4-methyl-3-pyridinyl)propanamide (CID 154859407) is 3-(3-chlorophenyl)-N-(4-methyl-3-pyridinyl)propanamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-(4-methyl-3-pyridinyl)propanamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-(4-methyl-3-pyridinyl)propanamide is Cc1ccncc1NC(=O)CCc1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-N-(4-methyl-3-pyridinyl)propanamide?
The InChIKey is CQMIDRCPLJZCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-11-7-8-17-10-14(11)18-15(19)6-5-12-3-2-4-13(16)9-12/h2-4,7-10H,5-6H2,1H3,(H,18,19).
What are the key properties of 3-(3-chlorophenyl)-N-(4-methyl-3-pyridinyl)propanamide?
3-(3-chlorophenyl)-N-(4-methyl-3-pyridinyl)propanamide has a molecular weight of 274.75 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-(4-methyl-3-pyridinyl)propanamide is sourced from PubChem (CID 154859407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).