(3,5-dichloro-4-methylphenyl)-(3-pyridin-3-ylazetidin-1-yl)methanone

C16H14Cl2N2O — CID 72913685

IUPAC(3,5-dichloro-4-methylphenyl)-(3-pyridin-3-ylazetidin-1-yl)methanone
SMILESCc1c(Cl)cc(C(=O)N2CC(c3cccnc3)C2)cc1Cl
InChIInChI=1S/C16H14Cl2N2O/c1-10-14(17)5-12(6-15(10)18)16(21)20-8-13(9-20)11-3-2-4-19-7-11/h2-7,13H,8-9H2,1H3
InChIKeyHABFCWKPMIDDFK-UHFFFAOYSA-N
MW321.21 g/mol
LogP3.94
Rot. Bonds2

About (3,5-dichloro-4-methylphenyl)-(3-pyridin-3-ylazetidin-1-yl)methanone

(3,5-dichloro-4-methylphenyl)-(3-pyridin-3-ylazetidin-1-yl)methanone (PubChem CID 72913685) has the molecular formula C16H14Cl2N2O and a molecular weight of 321.21 g/mol. Its IUPAC name is (3,5-dichloro-4-methylphenyl)-(3-pyridin-3-ylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(3,5-dichloro-4-methylphenyl)-(3-pyridin-3-ylazetidin-1-yl)methanone
PubChem CID72913685
Molecular FormulaC16H14Cl2N2O
Molecular Weight321.21 g/mol
Exact Mass320.05
IUPAC Name(3,5-dichloro-4-methylphenyl)-(3-pyridin-3-ylazetidin-1-yl)methanone
SMILESCc1c(Cl)cc(C(=O)N2CC(c3cccnc3)C2)cc1Cl
InChIInChI=1S/C16H14Cl2N2O/c1-10-14(17)5-12(6-15(10)18)16(21)20-8-13(9-20)11-3-2-4-19-7-11/h2-7,13H,8-9H2,1H3
InChIKeyHABFCWKPMIDDFK-UHFFFAOYSA-N
XLogP3.94
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 97207892
(3-pyridin-3-ylazetidin-1-yl)-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 72892102
2,6-dichloro-4-(3-phenylazetidine-1-carbonyl)benzoic acid
CID 157035695
(5-methyl-1-propylpyrazol-4-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone
CID 72886272
1-methyl-4-(3-pyridin-3-ylazetidine-1-carbonyl)quinolin-2-one
CID 56916686
(4-iodophenyl)-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 96537371
[3-[5-[(dimethylamino)methyl]-2-pyridinyl]phenyl]-(3-pyridin-3-ylazetidin-1-yl)methanone
CID 118761649
(3,4-dichlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110867001
1-(4-pyridin-3-ylpiperidin-1-yl)ethanone
CID 129301457
(2-fluoro-5-methylphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 138002342
(3,4-dichlorophenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 39565978
phenyl-(3-pyridin-3-yl-4-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 46846380

Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-4-methylphenyl)-(3-pyridin-3-ylazetidin-1-yl)methanone?
The IUPAC name of (3,5-dichloro-4-methylphenyl)-(3-pyridin-3-ylazetidin-1-yl)methanone (CID 72913685) is (3,5-dichloro-4-methylphenyl)-(3-pyridin-3-ylazetidin-1-yl)methanone.
What is the SMILES notation for (3,5-dichloro-4-methylphenyl)-(3-pyridin-3-ylazetidin-1-yl)methanone?
The canonical SMILES for (3,5-dichloro-4-methylphenyl)-(3-pyridin-3-ylazetidin-1-yl)methanone is Cc1c(Cl)cc(C(=O)N2CC(c3cccnc3)C2)cc1Cl.
What is the InChIKey of (3,5-dichloro-4-methylphenyl)-(3-pyridin-3-ylazetidin-1-yl)methanone?
The InChIKey is HABFCWKPMIDDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O/c1-10-14(17)5-12(6-15(10)18)16(21)20-8-13(9-20)11-3-2-4-19-7-11/h2-7,13H,8-9H2,1H3.
What are the key properties of (3,5-dichloro-4-methylphenyl)-(3-pyridin-3-ylazetidin-1-yl)methanone?
(3,5-dichloro-4-methylphenyl)-(3-pyridin-3-ylazetidin-1-yl)methanone has a molecular weight of 321.21 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichloro-4-methylphenyl)-(3-pyridin-3-ylazetidin-1-yl)methanone is sourced from PubChem (CID 72913685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).