2-(3-chlorophenoxy)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]propanamide

C21H23ClN2O4 — CID 55692123

IUPAC2-(3-chlorophenoxy)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]propanamide
SMILESCOc1ccc(NC(=O)C(C)Oc2cccc(Cl)c2)cc1N1CCCCC1=O
InChIInChI=1S/C21H23ClN2O4/c1-14(28-17-7-5-6-15(22)12-17)21(26)23-16-9-10-19(27-2)18(13-16)24-11-4-3-8-20(24)25/h5-7,9-10,12-14H,3-4,8,11H2,1-2H3,(H,23,26)
InChIKeyLYKUCHBAZDCLAX-UHFFFAOYSA-N
MW402.88 g/mol
LogP4.27
Rot. Bonds6

About 2-(3-chlorophenoxy)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]propanamide

2-(3-chlorophenoxy)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]propanamide (PubChem CID 55692123) has the molecular formula C21H23ClN2O4 and a molecular weight of 402.88 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]propanamide
PubChem CID55692123
Molecular FormulaC21H23ClN2O4
Molecular Weight402.88 g/mol
Exact Mass402.13
IUPAC Name2-(3-chlorophenoxy)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]propanamide
SMILESCOc1ccc(NC(=O)C(C)Oc2cccc(Cl)c2)cc1N1CCCCC1=O
InChIInChI=1S/C21H23ClN2O4/c1-14(28-17-7-5-6-15(22)12-17)21(26)23-16-9-10-19(27-2)18(13-16)24-11-4-3-8-20(24)25/h5-7,9-10,12-14H,3-4,8,11H2,1-2H3,(H,23,26)
InChIKeyLYKUCHBAZDCLAX-UHFFFAOYSA-N
XLogP4.27
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(3-chlorophenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 36569893
2-(3-chlorophenoxy)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 16566801
N-(3-chlorophenyl)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 24614808
2,4-dichloro-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687863
1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea
CID 55820823
(E)-3-(3-chlorophenyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 55675011
(2S)-2-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3,3-dimethylbutanamide;hydrochloride
CID 119724577
2-(3-methoxyphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 132761519
2-amino-3-methoxy-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride
CID 120985846
3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]butanamide
CID 119724596
4-ethoxy-N-[1-[4-methoxy-3-(2-oxopiperidin-1-yl)anilino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55692148
(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
CID 966245

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]propanamide (CID 55692123) is 2-(3-chlorophenoxy)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]propanamide is COc1ccc(NC(=O)C(C)Oc2cccc(Cl)c2)cc1N1CCCCC1=O.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]propanamide?
The InChIKey is LYKUCHBAZDCLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O4/c1-14(28-17-7-5-6-15(22)12-17)21(26)23-16-9-10-19(27-2)18(13-16)24-11-4-3-8-20(24)25/h5-7,9-10,12-14H,3-4,8,11H2,1-2H3,(H,23,26).
What are the key properties of 2-(3-chlorophenoxy)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]propanamide?
2-(3-chlorophenoxy)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]propanamide has a molecular weight of 402.88 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]propanamide is sourced from PubChem (CID 55692123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).