N-[(2,4-dichloro-6-methylphenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide

C14H16Cl2N2O2 — CID 59303314

IUPACN-[(2,4-dichloro-6-methylphenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCc1cc(Cl)cc(Cl)c1CNC(=O)C1CCC(=O)N1C
InChIInChI=1S/C14H16Cl2N2O2/c1-8-5-9(15)6-11(16)10(8)7-17-14(20)12-3-4-13(19)18(12)2/h5-6,12H,3-4,7H2,1-2H3,(H,17,20)
InChIKeyNTNYKVDQHGILPR-UHFFFAOYSA-N
MW315.20 g/mol
LogP2.54
Rot. Bonds3

About N-[(2,4-dichloro-6-methylphenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide

N-[(2,4-dichloro-6-methylphenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 59303314) has the molecular formula C14H16Cl2N2O2 and a molecular weight of 315.20 g/mol. Its IUPAC name is N-[(2,4-dichloro-6-methylphenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichloro-6-methylphenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID59303314
Molecular FormulaC14H16Cl2N2O2
Molecular Weight315.20 g/mol
Exact Mass314.06
IUPAC NameN-[(2,4-dichloro-6-methylphenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCc1cc(Cl)cc(Cl)c1CNC(=O)C1CCC(=O)N1C
InChIInChI=1S/C14H16Cl2N2O2/c1-8-5-9(15)6-11(16)10(8)7-17-14(20)12-3-4-13(19)18(12)2/h5-6,12H,3-4,7H2,1-2H3,(H,17,20)
InChIKeyNTNYKVDQHGILPR-UHFFFAOYSA-N
XLogP2.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichloro-6-methylphenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[(2,4-dichloro-6-methylphenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide (CID 59303314) is N-[(2,4-dichloro-6-methylphenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(2,4-dichloro-6-methylphenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[(2,4-dichloro-6-methylphenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide is Cc1cc(Cl)cc(Cl)c1CNC(=O)C1CCC(=O)N1C.
What is the InChIKey of N-[(2,4-dichloro-6-methylphenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is NTNYKVDQHGILPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O2/c1-8-5-9(15)6-11(16)10(8)7-17-14(20)12-3-4-13(19)18(12)2/h5-6,12H,3-4,7H2,1-2H3,(H,17,20).
What are the key properties of N-[(2,4-dichloro-6-methylphenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
N-[(2,4-dichloro-6-methylphenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 315.20 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichloro-6-methylphenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 59303314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).