N-[3-[2-(4-chlorophenyl)morpholine-4-carbonyl]phenyl]oxolane-2-carboxamide

C22H23ClN2O4 — CID 55948150

IUPACN-[3-[2-(4-chlorophenyl)morpholine-4-carbonyl]phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCOC(c3ccc(Cl)cc3)C2)c1)C1CCCO1
InChIInChI=1S/C22H23ClN2O4/c23-17-8-6-15(7-9-17)20-14-25(10-12-29-20)22(27)16-3-1-4-18(13-16)24-21(26)19-5-2-11-28-19/h1,3-4,6-9,13,19-20H,2,5,10-12,14H2,(H,24,26)
InChIKeyRWUKFUMXOYXYOH-UHFFFAOYSA-N
MW414.89 g/mol
LogP3.67
Rot. Bonds4

About N-[3-[2-(4-chlorophenyl)morpholine-4-carbonyl]phenyl]oxolane-2-carboxamide

N-[3-[2-(4-chlorophenyl)morpholine-4-carbonyl]phenyl]oxolane-2-carboxamide (PubChem CID 55948150) has the molecular formula C22H23ClN2O4 and a molecular weight of 414.89 g/mol. Its IUPAC name is N-[3-[2-(4-chlorophenyl)morpholine-4-carbonyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(4-chlorophenyl)morpholine-4-carbonyl]phenyl]oxolane-2-carboxamide
PubChem CID55948150
Molecular FormulaC22H23ClN2O4
Molecular Weight414.89 g/mol
Exact Mass414.13
IUPAC NameN-[3-[2-(4-chlorophenyl)morpholine-4-carbonyl]phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCOC(c3ccc(Cl)cc3)C2)c1)C1CCCO1
InChIInChI=1S/C22H23ClN2O4/c23-17-8-6-15(7-9-17)20-14-25(10-12-29-20)22(27)16-3-1-4-18(13-16)24-21(26)19-5-2-11-28-19/h1,3-4,6-9,13,19-20H,2,5,10-12,14H2,(H,24,26)
InChIKeyRWUKFUMXOYXYOH-UHFFFAOYSA-N
XLogP3.67
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.89
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(piperazine-1-carbonyl)phenyl]oxolane-2-carboxamide
CID 119403640
N-[3-(piperazine-1-carbonyl)phenyl]oxolane-2-carboxamide;hydrochloride
CID 119403639
N-[3-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 46559932
N-[3-[3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 46419124
(2S)-N-[3-[(3R)-3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]piperidine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 52514050
(2S)-N-[3-[(3S)-3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]piperidine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 124814920
N-[3-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 43074897
(2S)-N-[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 32678870
3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554
N-[3-[4-(3-methylbenzoyl)-1,4-diazepane-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 42949468
N-[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 45179359
(2R)-N-[3-(4-methyl-3-oxopiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide
CID 95775139

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-chlorophenyl)morpholine-4-carbonyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-[2-(4-chlorophenyl)morpholine-4-carbonyl]phenyl]oxolane-2-carboxamide (CID 55948150) is N-[3-[2-(4-chlorophenyl)morpholine-4-carbonyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-[2-(4-chlorophenyl)morpholine-4-carbonyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-[2-(4-chlorophenyl)morpholine-4-carbonyl]phenyl]oxolane-2-carboxamide is O=C(Nc1cccc(C(=O)N2CCOC(c3ccc(Cl)cc3)C2)c1)C1CCCO1.
What is the InChIKey of N-[3-[2-(4-chlorophenyl)morpholine-4-carbonyl]phenyl]oxolane-2-carboxamide?
The InChIKey is RWUKFUMXOYXYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O4/c23-17-8-6-15(7-9-17)20-14-25(10-12-29-20)22(27)16-3-1-4-18(13-16)24-21(26)19-5-2-11-28-19/h1,3-4,6-9,13,19-20H,2,5,10-12,14H2,(H,24,26).
What are the key properties of N-[3-[2-(4-chlorophenyl)morpholine-4-carbonyl]phenyl]oxolane-2-carboxamide?
N-[3-[2-(4-chlorophenyl)morpholine-4-carbonyl]phenyl]oxolane-2-carboxamide has a molecular weight of 414.89 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-chlorophenyl)morpholine-4-carbonyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 55948150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).