2-(2-chlorophenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]cyclopropane-1-carboxamide

C23H27ClN2O2 — CID 55900321

IUPAC2-(2-chlorophenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]cyclopropane-1-carboxamide
SMILESCc1ccc(C(CNC(=O)C2CC2c2ccccc2Cl)N2CCOCC2)cc1
InChIInChI=1S/C23H27ClN2O2/c1-16-6-8-17(9-7-16)22(26-10-12-28-13-11-26)15-25-23(27)20-14-19(20)18-4-2-3-5-21(18)24/h2-9,19-20,22H,10-15H2,1H3,(H,25,27)
InChIKeyJFMSHUPDGPNCDW-UHFFFAOYSA-N
MW398.93 g/mol
LogP3.94
Rot. Bonds6

About 2-(2-chlorophenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]cyclopropane-1-carboxamide

2-(2-chlorophenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]cyclopropane-1-carboxamide (PubChem CID 55900321) has the molecular formula C23H27ClN2O2 and a molecular weight of 398.93 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]cyclopropane-1-carboxamide
PubChem CID55900321
Molecular FormulaC23H27ClN2O2
Molecular Weight398.93 g/mol
Exact Mass398.18
IUPAC Name2-(2-chlorophenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]cyclopropane-1-carboxamide
SMILESCc1ccc(C(CNC(=O)C2CC2c2ccccc2Cl)N2CCOCC2)cc1
InChIInChI=1S/C23H27ClN2O2/c1-16-6-8-17(9-7-16)22(26-10-12-28-13-11-26)15-25-23(27)20-14-19(20)18-4-2-3-5-21(18)24/h2-9,19-20,22H,10-15H2,1H3,(H,25,27)
InChIKeyJFMSHUPDGPNCDW-UHFFFAOYSA-N
XLogP3.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.93
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)cyclopropane-1-carboxamide
CID 110887213
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N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]cyclohexanecarboxamide
CID 51630213
N-[(2-chlorophenyl)methyl]-N'-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835275
4-methyl-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834547
4-chloro-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 16804391
N-(2-morpholin-4-yl-2-phenylethyl)cyclopentanecarboxamide
CID 42948396
N-(2-morpholin-4-yl-2-phenylethyl)cyclobutanecarboxamide
CID 42948395
2-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 119859927
N-benzyl-N'-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835176
1-cyclopropyl-3-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]urea
CID 51710229
3-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119859900

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]cyclopropane-1-carboxamide (CID 55900321) is 2-(2-chlorophenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]cyclopropane-1-carboxamide is Cc1ccc(C(CNC(=O)C2CC2c2ccccc2Cl)N2CCOCC2)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]cyclopropane-1-carboxamide?
The InChIKey is JFMSHUPDGPNCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O2/c1-16-6-8-17(9-7-16)22(26-10-12-28-13-11-26)15-25-23(27)20-14-19(20)18-4-2-3-5-21(18)24/h2-9,19-20,22H,10-15H2,1H3,(H,25,27).
What are the key properties of 2-(2-chlorophenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]cyclopropane-1-carboxamide?
2-(2-chlorophenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]cyclopropane-1-carboxamide has a molecular weight of 398.93 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 55900321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).