2-(2-chlorophenoxy)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]propanamide

C22H25ClN2O3 — CID 43886884

IUPAC2-(2-chlorophenoxy)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]propanamide
SMILESCC1CCN(C(=O)c2cccc(NC(=O)C(C)Oc3ccccc3Cl)c2)CC1
InChIInChI=1S/C22H25ClN2O3/c1-15-10-12-25(13-11-15)22(27)17-6-5-7-18(14-17)24-21(26)16(2)28-20-9-4-3-8-19(20)23/h3-9,14-16H,10-13H2,1-2H3,(H,24,26)
InChIKeyNWIQNUOVQUNPPD-UHFFFAOYSA-N
MW400.91 g/mol
LogP4.62
Rot. Bonds5

About 2-(2-chlorophenoxy)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]propanamide

2-(2-chlorophenoxy)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]propanamide (PubChem CID 43886884) has the molecular formula C22H25ClN2O3 and a molecular weight of 400.91 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]propanamide
PubChem CID43886884
Molecular FormulaC22H25ClN2O3
Molecular Weight400.91 g/mol
Exact Mass400.16
IUPAC Name2-(2-chlorophenoxy)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]propanamide
SMILESCC1CCN(C(=O)c2cccc(NC(=O)C(C)Oc3ccccc3Cl)c2)CC1
InChIInChI=1S/C22H25ClN2O3/c1-15-10-12-25(13-11-15)22(27)17-6-5-7-18(14-17)24-21(26)16(2)28-20-9-4-3-8-19(20)23/h3-9,14-16H,10-13H2,1-2H3,(H,24,26)
InChIKeyNWIQNUOVQUNPPD-UHFFFAOYSA-N
XLogP4.62
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylphenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]propanamide
CID 17179652
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 4019473
2-(2-chlorophenoxy)-N-(3-propan-2-yloxyphenyl)propanamide
CID 17154741
N-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-chlorophenoxy)propanamide
CID 43908425
2-(2-bromo-4-chlorophenoxy)-N-[3-(morpholine-4-carbonyl)phenyl]propanamide
CID 17205542
2-anilino-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54810526
N-[3-[[(2S)-2-(2,3-dichlorophenoxy)propanoyl]amino]phenyl]benzamide
CID 118259670
3-[2-(2-chlorophenoxy)propanoylamino]-N-ethyl-N-phenylbenzamide
CID 17221982
(2S)-2-(2-chlorophenoxy)-N-(3,5-dichlorophenyl)propanamide
CID 2631906
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(2-propan-2-ylphenoxy)propanamide
CID 108552899
(2S)-2-(2-chlorophenoxy)-N-(3-nitrophenyl)propanamide
CID 2631902
2-(3,5-dichloroanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54813365

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]propanamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]propanamide (CID 43886884) is 2-(2-chlorophenoxy)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]propanamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]propanamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]propanamide is CC1CCN(C(=O)c2cccc(NC(=O)C(C)Oc3ccccc3Cl)c2)CC1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]propanamide?
The InChIKey is NWIQNUOVQUNPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O3/c1-15-10-12-25(13-11-15)22(27)17-6-5-7-18(14-17)24-21(26)16(2)28-20-9-4-3-8-19(20)23/h3-9,14-16H,10-13H2,1-2H3,(H,24,26).
What are the key properties of 2-(2-chlorophenoxy)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]propanamide?
2-(2-chlorophenoxy)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]propanamide has a molecular weight of 400.91 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]propanamide is sourced from PubChem (CID 43886884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).