2-N-[(4-chlorophenyl)methyl]-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide

C20H22ClN3O3 — CID 3221401

IUPAC2-N-[(4-chlorophenyl)methyl]-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCOc1cccc(NC(=O)N2CCCC2C(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H22ClN3O3/c1-27-17-5-2-4-16(12-17)23-20(26)24-11-3-6-18(24)19(25)22-13-14-7-9-15(21)10-8-14/h2,4-5,7-10,12,18H,3,6,11,13H2,1H3,(H,22,25)(H,23,26)
InChIKeyMTIARPWPGNRZPY-UHFFFAOYSA-N
MW387.87 g/mol
LogP3.66
Rot. Bonds5

About 2-N-[(4-chlorophenyl)methyl]-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide

2-N-[(4-chlorophenyl)methyl]-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 3221401) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is 2-N-[(4-chlorophenyl)methyl]-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-[(4-chlorophenyl)methyl]-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID3221401
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC Name2-N-[(4-chlorophenyl)methyl]-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCOc1cccc(NC(=O)N2CCCC2C(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H22ClN3O3/c1-27-17-5-2-4-16(12-17)23-20(26)24-11-3-6-18(24)19(25)22-13-14-7-9-15(21)10-8-14/h2,4-5,7-10,12,18H,3,6,11,13H2,1H3,(H,22,25)(H,23,26)
InChIKeyMTIARPWPGNRZPY-UHFFFAOYSA-N
XLogP3.66
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 118132864
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CID 122592369
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CID 972007
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CID 118132917
CID 118132917
CID 644676
CID 644676
CID 647170
CID 647170
CID 653430
CID 653430
CID 656350
CID 656350
CID 1258258
CID 1258258
CID 1450040
CID 1450040
CID 1450080
CID 1450080

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-chlorophenyl)methyl]-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-[(4-chlorophenyl)methyl]-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (CID 3221401) is 2-N-[(4-chlorophenyl)methyl]-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-[(4-chlorophenyl)methyl]-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-[(4-chlorophenyl)methyl]-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide is COc1cccc(NC(=O)N2CCCC2C(=O)NCc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-N-[(4-chlorophenyl)methyl]-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is MTIARPWPGNRZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c1-27-17-5-2-4-16(12-17)23-20(26)24-11-3-6-18(24)19(25)22-13-14-7-9-15(21)10-8-14/h2,4-5,7-10,12,18H,3,6,11,13H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 2-N-[(4-chlorophenyl)methyl]-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
2-N-[(4-chlorophenyl)methyl]-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 387.87 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-chlorophenyl)methyl]-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3221401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).