1-[(4-chlorophenyl)methyl]-5-(5-methylthiophen-2-yl)pyridin-2-one

C17H14ClNOS — CID 69441224

IUPAC1-[(4-chlorophenyl)methyl]-5-(5-methylthiophen-2-yl)pyridin-2-one
SMILESCc1ccc(-c2ccc(=O)n(Cc3ccc(Cl)cc3)c2)s1
InChIInChI=1S/C17H14ClNOS/c1-12-2-8-16(21-12)14-5-9-17(20)19(11-14)10-13-3-6-15(18)7-4-13/h2-9,11H,10H2,1H3
InChIKeyNVSFPYKDYDRLFH-UHFFFAOYSA-N
MW315.83 g/mol
LogP4.59
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-5-(5-methylthiophen-2-yl)pyridin-2-one

1-[(4-chlorophenyl)methyl]-5-(5-methylthiophen-2-yl)pyridin-2-one (PubChem CID 69441224) has the molecular formula C17H14ClNOS and a molecular weight of 315.83 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-5-(5-methylthiophen-2-yl)pyridin-2-one.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-5-(5-methylthiophen-2-yl)pyridin-2-one
PubChem CID69441224
Molecular FormulaC17H14ClNOS
Molecular Weight315.83 g/mol
Exact Mass315.05
IUPAC Name1-[(4-chlorophenyl)methyl]-5-(5-methylthiophen-2-yl)pyridin-2-one
SMILESCc1ccc(-c2ccc(=O)n(Cc3ccc(Cl)cc3)c2)s1
InChIInChI=1S/C17H14ClNOS/c1-12-2-8-16(21-12)14-5-9-17(20)19(11-14)10-13-3-6-15(18)7-4-13/h2-9,11H,10H2,1H3
InChIKeyNVSFPYKDYDRLFH-UHFFFAOYSA-N
XLogP4.59
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.83
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorobenzyl)-3-methylthiophene-2-carboxamide
CID 1225261
Rhodanine, 3-benzyl-5-(p-chlorobenzylidene)-
CID 1565790
3-(4-chlorophenyl)-N-(2-thienylmethyl)acrylamide
CID 897764
4-chloro-N-(2-cyanoethyl)-N-(2-thienylmethyl)benzamide
CID 2813036
3-(4-chlorobenzyl)-4-hydroxy-1-(2-thienylmethyl)-2(1H)-pyridinone
CID 54691526
3-(3-chlorophenyl)-N-(2-thienylmethyl)acrylamide
CID 887742
3-(2-chlorophenyl)-N-(2-thienylmethyl)acrylamide
CID 896676
(E)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-thiophen-2-ylprop-2-enamide
CID 2526375
N-benzyl-1-[(5-chloro-2-thienyl)carbonyl]-N-methyl-3-piperidinamine
CID 24794192
3-Benzyl-5-(4-chloro-benzylidene)-2-thioxo-thiazolidin-4-one
CID 1565789
[5-(4-Chlorophenyl)thiophen-3-yl]-piperidin-1-ylmethanone
CID 2823748
(2E)-3-(4-chlorophenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 6159011

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-5-(5-methylthiophen-2-yl)pyridin-2-one?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-5-(5-methylthiophen-2-yl)pyridin-2-one (CID 69441224) is 1-[(4-chlorophenyl)methyl]-5-(5-methylthiophen-2-yl)pyridin-2-one.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-5-(5-methylthiophen-2-yl)pyridin-2-one?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-5-(5-methylthiophen-2-yl)pyridin-2-one is Cc1ccc(-c2ccc(=O)n(Cc3ccc(Cl)cc3)c2)s1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-5-(5-methylthiophen-2-yl)pyridin-2-one?
The InChIKey is NVSFPYKDYDRLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNOS/c1-12-2-8-16(21-12)14-5-9-17(20)19(11-14)10-13-3-6-15(18)7-4-13/h2-9,11H,10H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-5-(5-methylthiophen-2-yl)pyridin-2-one?
1-[(4-chlorophenyl)methyl]-5-(5-methylthiophen-2-yl)pyridin-2-one has a molecular weight of 315.83 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-5-(5-methylthiophen-2-yl)pyridin-2-one is sourced from PubChem (CID 69441224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).