N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide

C19H23ClN2O4 — CID 47071343

IUPACN-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1OCC1CCCO1)C1CC(=O)N(C2CC2)C1
InChIInChI=1S/C19H23ClN2O4/c20-13-3-6-17(26-11-15-2-1-7-25-15)16(9-13)21-19(24)12-8-18(23)22(10-12)14-4-5-14/h3,6,9,12,14-15H,1-2,4-5,7-8,10-11H2,(H,21,24)
InChIKeyPOTUJNMUIPSQJS-UHFFFAOYSA-N
MW378.86 g/mol
LogP2.85
Rot. Bonds6

About N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide

N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 47071343) has the molecular formula C19H23ClN2O4 and a molecular weight of 378.86 g/mol. Its IUPAC name is N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
PubChem CID47071343
Molecular FormulaC19H23ClN2O4
Molecular Weight378.86 g/mol
Exact Mass378.13
IUPAC NameN-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1OCC1CCCO1)C1CC(=O)N(C2CC2)C1
InChIInChI=1S/C19H23ClN2O4/c20-13-3-6-17(26-11-15-2-1-7-25-15)16(9-13)21-19(24)12-8-18(23)22(10-12)14-4-5-14/h3,6,9,12,14-15H,1-2,4-5,7-8,10-11H2,(H,21,24)
InChIKeyPOTUJNMUIPSQJS-UHFFFAOYSA-N
XLogP2.85
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide
CID 119743204
N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 60576266
N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 56783387
2-[[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120976807
N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 60575055
(3S)-N-(5-chloro-2-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 6920596
1-[5-chloro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-(2-hydroxyethyl)urea
CID 95265922
(3S)-1-methyl-N-[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 94646530
4-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]butanamide;hydrochloride
CID 119300240
ethyl 4-[5-chloro-2-[[(2S)-oxolan-2-yl]methoxy]anilino]-4-oxobutanoate
CID 52505583
3-amino-N-[5-chloro-2-[[(2R)-oxan-2-yl]methoxy]phenyl]pyrazine-2-carboxamide
CID 99823794
1-cyclohexyl-N-(2,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2927358

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide (CID 47071343) is N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide is O=C(Nc1cc(Cl)ccc1OCC1CCCO1)C1CC(=O)N(C2CC2)C1.
What is the InChIKey of N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is POTUJNMUIPSQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4/c20-13-3-6-17(26-11-15-2-1-7-25-15)16(9-13)21-19(24)12-8-18(23)22(10-12)14-4-5-14/h3,6,9,12,14-15H,1-2,4-5,7-8,10-11H2,(H,21,24).
What are the key properties of N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide?
N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 378.86 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 47071343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).