(3,4-dichlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone

C16H14Cl2N2O — CID 110867001

IUPAC(3,4-dichlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCCC1c1cccnc1
InChIInChI=1S/C16H14Cl2N2O/c17-13-6-5-11(9-14(13)18)16(21)20-8-2-4-15(20)12-3-1-7-19-10-12/h1,3,5-7,9-10,15H,2,4,8H2
InChIKeyMQIQUQXHHVGHQH-UHFFFAOYSA-N
MW321.21 g/mol
LogP4.37
Rot. Bonds2

About (3,4-dichlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone

(3,4-dichlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone (PubChem CID 110867001) has the molecular formula C16H14Cl2N2O and a molecular weight of 321.21 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
PubChem CID110867001
Molecular FormulaC16H14Cl2N2O
Molecular Weight321.21 g/mol
Exact Mass320.05
IUPAC Name(3,4-dichlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCCC1c1cccnc1
InChIInChI=1S/C16H14Cl2N2O/c17-13-6-5-11(9-14(13)18)16(21)20-8-2-4-15(20)12-3-1-7-19-10-12/h1,3,5-7,9-10,15H,2,4,8H2
InChIKeyMQIQUQXHHVGHQH-UHFFFAOYSA-N
XLogP4.37
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 ≤ 54.37
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
[4-(chloromethyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 43578920
(3-iodophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 60697684
[4-(aminomethyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 43575796
[2-(aminomethyl)-4-pyridinyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 114325684
(3,5-dimethoxyphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110867000
(4-nitrophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 10913511
(2-amino-1,3-benzothiazol-5-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 155494071
(2-amino-6-chlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 63658212
(2,3-dimethyl-1H-indol-5-yl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 39490617
N-methyl-4-[(2R)-2-pyridin-3-ylpyrrolidine-1-carbonyl]benzenesulfonamide
CID 39156898
(2S)-1-(3,4-dichlorobenzoyl)-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 51937768

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (3,4-dichlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone (CID 110867001) is (3,4-dichlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (3,4-dichlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone is O=C(c1ccc(Cl)c(Cl)c1)N1CCCC1c1cccnc1.
What is the InChIKey of (3,4-dichlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
The InChIKey is MQIQUQXHHVGHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O/c17-13-6-5-11(9-14(13)18)16(21)20-8-2-4-15(20)12-3-1-7-19-10-12/h1,3,5-7,9-10,15H,2,4,8H2.
What are the key properties of (3,4-dichlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
(3,4-dichlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone has a molecular weight of 321.21 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 110867001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).