N-(4-chlorophenyl)-1-[2-(oxan-2-yl)acetyl]pyrrolidine-2-carboxamide

C18H23ClN2O3 — CID 110625911

IUPACN-(4-chlorophenyl)-1-[2-(oxan-2-yl)acetyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CCCN1C(=O)CC1CCCCO1
InChIInChI=1S/C18H23ClN2O3/c19-13-6-8-14(9-7-13)20-18(23)16-5-3-10-21(16)17(22)12-15-4-1-2-11-24-15/h6-9,15-16H,1-5,10-12H2,(H,20,23)
InChIKeyGLQPDQOLMLZPRC-UHFFFAOYSA-N
MW350.85 g/mol
LogP3.23
Rot. Bonds4

About N-(4-chlorophenyl)-1-[2-(oxan-2-yl)acetyl]pyrrolidine-2-carboxamide

N-(4-chlorophenyl)-1-[2-(oxan-2-yl)acetyl]pyrrolidine-2-carboxamide (PubChem CID 110625911) has the molecular formula C18H23ClN2O3 and a molecular weight of 350.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-[2-(oxan-2-yl)acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-[2-(oxan-2-yl)acetyl]pyrrolidine-2-carboxamide
PubChem CID110625911
Molecular FormulaC18H23ClN2O3
Molecular Weight350.85 g/mol
Exact Mass350.14
IUPAC NameN-(4-chlorophenyl)-1-[2-(oxan-2-yl)acetyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CCCN1C(=O)CC1CCCCO1
InChIInChI=1S/C18H23ClN2O3/c19-13-6-8-14(9-7-13)20-18(23)16-5-3-10-21(16)17(22)12-15-4-1-2-11-24-15/h6-9,15-16H,1-5,10-12H2,(H,20,23)
InChIKeyGLQPDQOLMLZPRC-UHFFFAOYSA-N
XLogP3.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(4-chlorophenyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 110286201
(2S)-N-(4-chlorophenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 110286200
(2R)-N-(4-chlorophenyl)-1-(methylcarbamothioyl)pyrrolidine-2-carboxamide
CID 899037
(2S)-N-(4-chlorophenyl)-1-(2-cyclopentylpropanoyl)pyrrolidine-2-carboxamide
CID 110354039
(2S)-N-(4-chlorophenyl)-1-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]pyrrolidine-2-carboxamide
CID 11604288
(2R)-1-[2-[(4-chlorophenyl)carbamoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide
CID 95330581
N-(4-chlorophenyl)-1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 46748924
1-butanoyl-N-phenylpyrrolidine-2-carboxamide
CID 47156007
1-[2-(oxolan-2-yl)acetyl]azepane-2-carboxylic acid
CID 65156903
(4R)-N-(4-cyanophenyl)-3-[2-[(2S)-oxolan-2-yl]acetyl]-1,3-thiazolidine-4-carboxamide
CID 95327247
(2S)-1-(2-methylsulfanylacetyl)-N-[4-[(E)-2-[4-[[(2S)-1-(2-methylsulfanylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 58768691
1-N-(4-chlorophenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
CID 3219672

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-[2-(oxan-2-yl)acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1-[2-(oxan-2-yl)acetyl]pyrrolidine-2-carboxamide (CID 110625911) is N-(4-chlorophenyl)-1-[2-(oxan-2-yl)acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-[2-(oxan-2-yl)acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1-[2-(oxan-2-yl)acetyl]pyrrolidine-2-carboxamide is O=C(Nc1ccc(Cl)cc1)C1CCCN1C(=O)CC1CCCCO1.
What is the InChIKey of N-(4-chlorophenyl)-1-[2-(oxan-2-yl)acetyl]pyrrolidine-2-carboxamide?
The InChIKey is GLQPDQOLMLZPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O3/c19-13-6-8-14(9-7-13)20-18(23)16-5-3-10-21(16)17(22)12-15-4-1-2-11-24-15/h6-9,15-16H,1-5,10-12H2,(H,20,23).
What are the key properties of N-(4-chlorophenyl)-1-[2-(oxan-2-yl)acetyl]pyrrolidine-2-carboxamide?
N-(4-chlorophenyl)-1-[2-(oxan-2-yl)acetyl]pyrrolidine-2-carboxamide has a molecular weight of 350.85 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-[2-(oxan-2-yl)acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 110625911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).