2-(4-chlorophenoxy)-2-methyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide

C19H23ClN4O2 — CID 91966529

IUPAC2-(4-chlorophenoxy)-2-methyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1nccc(N2CCCC2)n1
InChIInChI=1S/C19H23ClN4O2/c1-19(2,26-15-7-5-14(20)6-8-15)18(25)22-13-16-21-10-9-17(23-16)24-11-3-4-12-24/h5-10H,3-4,11-13H2,1-2H3,(H,22,25)
InChIKeyPZBACBBHVIVBGZ-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.20
Rot. Bonds6

About 2-(4-chlorophenoxy)-2-methyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide

2-(4-chlorophenoxy)-2-methyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide (PubChem CID 91966529) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-2-methyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-2-methyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide
PubChem CID91966529
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name2-(4-chlorophenoxy)-2-methyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1nccc(N2CCCC2)n1
InChIInChI=1S/C19H23ClN4O2/c1-19(2,26-15-7-5-14(20)6-8-15)18(25)22-13-16-21-10-9-17(23-16)24-11-3-4-12-24/h5-10H,3-4,11-13H2,1-2H3,(H,22,25)
InChIKeyPZBACBBHVIVBGZ-UHFFFAOYSA-N
XLogP3.20
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide
CID 72717995
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-4-(trifluoromethoxy)benzamide
CID 122317464
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide
CID 121137119
2-(4-methylphenoxy)-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]acetamide
CID 122317423
2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-2-methylpropanamide
CID 2597715
2-(4-chlorophenoxy)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 110441416
4-[[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]methyl]benzoic acid
CID 28677125
1-(4-tert-butylphenyl)-3-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]urea
CID 122317628
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 72717998
3-chloro-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 91966623
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]cyclohexanecarboxamide
CID 72717997
2,5-dimethyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]furan-3-carboxamide
CID 122317438

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide (CID 91966529) is 2-(4-chlorophenoxy)-2-methyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-2-methyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-2-methyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1nccc(N2CCCC2)n1.
What is the InChIKey of 2-(4-chlorophenoxy)-2-methyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide?
The InChIKey is PZBACBBHVIVBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-19(2,26-15-7-5-14(20)6-8-15)18(25)22-13-16-21-10-9-17(23-16)24-11-3-4-12-24/h5-10H,3-4,11-13H2,1-2H3,(H,22,25).
What are the key properties of 2-(4-chlorophenoxy)-2-methyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide?
2-(4-chlorophenoxy)-2-methyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide has a molecular weight of 374.87 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-2-methyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide is sourced from PubChem (CID 91966529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).