(3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone

C17H16Cl2N2O — CID 97207892

IUPAC(3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
SMILESCc1c(Cl)cc(C(=O)N2CCC[C@@H]2c2cccnc2)cc1Cl
InChIInChI=1S/C17H16Cl2N2O/c1-11-14(18)8-13(9-15(11)19)17(22)21-7-3-5-16(21)12-4-2-6-20-10-12/h2,4,6,8-10,16H,3,5,7H2,1H3/t16-/m1/s1
InChIKeyJACCGJGQDYPEII-MRXNPFEDSA-N
MW335.23 g/mol
LogP4.67
Rot. Bonds2

About (3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone

(3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone (PubChem CID 97207892) has the molecular formula C17H16Cl2N2O and a molecular weight of 335.23 g/mol. Its IUPAC name is (3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
PubChem CID97207892
Molecular FormulaC17H16Cl2N2O
Molecular Weight335.23 g/mol
Exact Mass334.06
IUPAC Name(3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
SMILESCc1c(Cl)cc(C(=O)N2CCC[C@@H]2c2cccnc2)cc1Cl
InChIInChI=1S/C17H16Cl2N2O/c1-11-14(18)8-13(9-15(11)19)17(22)21-7-3-5-16(21)12-4-2-6-20-10-12/h2,4,6,8-10,16H,3,5,7H2,1H3/t16-/m1/s1
InChIKeyJACCGJGQDYPEII-MRXNPFEDSA-N
XLogP4.67
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dichlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110867001
(3,5-dimethoxyphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110867000
(3,5-dichloro-4-methylphenyl)-(3-pyridin-3-ylazetidin-1-yl)methanone
CID 72913685
(2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110871555
[4-(chloromethyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 43578920
(3-iodophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 60697684
(2,3-dimethyl-1H-indol-5-yl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 39490617
[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 23725866
(2-amino-6-chlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 63658212
(3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone
CID 97144676
[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

Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone?
The IUPAC name of (3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone (CID 97207892) is (3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for (3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone is Cc1c(Cl)cc(C(=O)N2CCC[C@@H]2c2cccnc2)cc1Cl.
What is the InChIKey of (3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone?
The InChIKey is JACCGJGQDYPEII-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H16Cl2N2O/c1-11-14(18)8-13(9-15(11)19)17(22)21-7-3-5-16(21)12-4-2-6-20-10-12/h2,4,6,8-10,16H,3,5,7H2,1H3/t16-/m1/s1.
What are the key properties of (3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone?
(3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone has a molecular weight of 335.23 g/mol, XLogP of 4.67, 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)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 97207892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).