1-(3-chloro-4-methylphenyl)pyrrolidine-3-carboxamide

C12H15ClN2O — CID 117008174

IUPAC1-(3-chloro-4-methylphenyl)pyrrolidine-3-carboxamide
SMILESCc1ccc(N2CCC(C(N)=O)C2)cc1Cl
InChIInChI=1S/C12H15ClN2O/c1-8-2-3-10(6-11(8)13)15-5-4-9(7-15)12(14)16/h2-3,6,9H,4-5,7H2,1H3,(H2,14,16)
InChIKeyDZUHDFMVDNBNQY-UHFFFAOYSA-N
MW238.72 g/mol
LogP1.96
Rot. Bonds2

About 1-(3-chloro-4-methylphenyl)pyrrolidine-3-carboxamide

1-(3-chloro-4-methylphenyl)pyrrolidine-3-carboxamide (PubChem CID 117008174) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)pyrrolidine-3-carboxamide
PubChem CID117008174
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name1-(3-chloro-4-methylphenyl)pyrrolidine-3-carboxamide
SMILESCc1ccc(N2CCC(C(N)=O)C2)cc1Cl
InChIInChI=1S/C12H15ClN2O/c1-8-2-3-10(6-11(8)13)15-5-4-9(7-15)12(14)16/h2-3,6,9H,4-5,7H2,1H3,(H2,14,16)
InChIKeyDZUHDFMVDNBNQY-UHFFFAOYSA-N
XLogP1.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-chloro-4-methylphenyl)pyrrolidine-3-carboxamide (CID 117008174) is 1-(3-chloro-4-methylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)pyrrolidine-3-carboxamide is Cc1ccc(N2CCC(C(N)=O)C2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is DZUHDFMVDNBNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-8-2-3-10(6-11(8)13)15-5-4-9(7-15)12(14)16/h2-3,6,9H,4-5,7H2,1H3,(H2,14,16).
What are the key properties of 1-(3-chloro-4-methylphenyl)pyrrolidine-3-carboxamide?
1-(3-chloro-4-methylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 238.72 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 117008174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).