5-chloro-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

C22H19Cl2N5O2 — CID 55772981

IUPAC5-chloro-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccccc1NC(=O)c1nc(N2CCCC2)ncc1Cl
InChIInChI=1S/C22H19Cl2N5O2/c23-14-7-9-15(10-8-14)26-20(30)16-5-1-2-6-18(16)27-21(31)19-17(24)13-25-22(28-19)29-11-3-4-12-29/h1-2,5-10,13H,3-4,11-12H2,(H,26,30)(H,27,31)
InChIKeyNWTDDICZUKKMOV-UHFFFAOYSA-N
MW456.33 g/mol
LogP4.89
Rot. Bonds5

About 5-chloro-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

5-chloro-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (PubChem CID 55772981) has the molecular formula C22H19Cl2N5O2 and a molecular weight of 456.33 g/mol. Its IUPAC name is 5-chloro-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
PubChem CID55772981
Molecular FormulaC22H19Cl2N5O2
Molecular Weight456.33 g/mol
Exact Mass455.09
IUPAC Name5-chloro-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccccc1NC(=O)c1nc(N2CCCC2)ncc1Cl
InChIInChI=1S/C22H19Cl2N5O2/c23-14-7-9-15(10-8-14)26-20(30)16-5-1-2-6-18(16)27-21(31)19-17(24)13-25-22(28-19)29-11-3-4-12-29/h1-2,5-10,13H,3-4,11-12H2,(H,26,30)(H,27,31)
InChIKeyNWTDDICZUKKMOV-UHFFFAOYSA-N
XLogP4.89
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.33
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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5-chloro-2-pyrrolidin-1-yl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyrimidine-4-carboxamide
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5-chloro-N-(2-methoxy-4-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (CID 55772981) is 5-chloro-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is O=C(Nc1ccc(Cl)cc1)c1ccccc1NC(=O)c1nc(N2CCCC2)ncc1Cl.
What is the InChIKey of 5-chloro-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is NWTDDICZUKKMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2N5O2/c23-14-7-9-15(10-8-14)26-20(30)16-5-1-2-6-18(16)27-21(31)19-17(24)13-25-22(28-19)29-11-3-4-12-29/h1-2,5-10,13H,3-4,11-12H2,(H,26,30)(H,27,31).
What are the key properties of 5-chloro-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
5-chloro-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 456.33 g/mol, XLogP of 4.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 55772981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).