2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]cyclopentene-1-carboxamide

C19H25ClN2O2 — CID 167784651

IUPAC2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]cyclopentene-1-carboxamide
SMILESCc1cccc(C(CNC(=O)C2=C(Cl)CCC2)N2CCOCC2)c1
InChIInChI=1S/C19H25ClN2O2/c1-14-4-2-5-15(12-14)18(22-8-10-24-11-9-22)13-21-19(23)16-6-3-7-17(16)20/h2,4-5,12,18H,3,6-11,13H2,1H3,(H,21,23)
InChIKeyDOICRQZJYMYMOL-UHFFFAOYSA-N
MW348.87 g/mol
LogP3.16
Rot. Bonds5

About 2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]cyclopentene-1-carboxamide

2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]cyclopentene-1-carboxamide (PubChem CID 167784651) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is 2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]cyclopentene-1-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]cyclopentene-1-carboxamide
PubChem CID167784651
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC Name2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]cyclopentene-1-carboxamide
SMILESCc1cccc(C(CNC(=O)C2=C(Cl)CCC2)N2CCOCC2)c1
InChIInChI=1S/C19H25ClN2O2/c1-14-4-2-5-15(12-14)18(22-8-10-24-11-9-22)13-21-19(23)16-6-3-7-17(16)20/h2,4-5,12,18H,3,6-11,13H2,1H3,(H,21,23)
InChIKeyDOICRQZJYMYMOL-UHFFFAOYSA-N
XLogP3.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-fluoro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 112506509
2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide;hydrochloride
CID 154856473
(2R)-2-amino-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]propanamide
CID 119849688
3-methyl-N-[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1,2-oxazole-5-carboxamide
CID 39226854
N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-4-pyrrol-1-ylbenzamide
CID 110304128
2-(4-fluorophenyl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 112506492
2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 55659861
1-(3-methylbutyl)-3-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]urea
CID 110304148
N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-methylsulfonylpropanamide
CID 110623787
4-hydroxy-N-[2-[[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]benzamide
CID 95143165
3-amino-2-methyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide;dihydrochloride
CID 119849677
N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51108370

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]cyclopentene-1-carboxamide?
The IUPAC name of 2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]cyclopentene-1-carboxamide (CID 167784651) is 2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]cyclopentene-1-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]cyclopentene-1-carboxamide?
The canonical SMILES for 2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]cyclopentene-1-carboxamide is Cc1cccc(C(CNC(=O)C2=C(Cl)CCC2)N2CCOCC2)c1.
What is the InChIKey of 2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]cyclopentene-1-carboxamide?
The InChIKey is DOICRQZJYMYMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O2/c1-14-4-2-5-15(12-14)18(22-8-10-24-11-9-22)13-21-19(23)16-6-3-7-17(16)20/h2,4-5,12,18H,3,6-11,13H2,1H3,(H,21,23).
What are the key properties of 2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]cyclopentene-1-carboxamide?
2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]cyclopentene-1-carboxamide has a molecular weight of 348.87 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]cyclopentene-1-carboxamide is sourced from PubChem (CID 167784651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).