1-(2-chlorophenyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclopentane-1-carboxamide

C22H27ClN2O2 — CID 100666490

IUPAC1-(2-chlorophenyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclopentane-1-carboxamide
SMILESCN(C)CCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1
InChIInChI=1S/C22H27ClN2O2/c1-25(2)15-16-27-18-11-9-17(10-12-18)24-21(26)22(13-5-6-14-22)19-7-3-4-8-20(19)23/h3-4,7-12H,5-6,13-16H2,1-2H3,(H,24,26)
InChIKeyNULROPOLTXZSDK-UHFFFAOYSA-N
MW386.92 g/mol
LogP4.73
Rot. Bonds7

About 1-(2-chlorophenyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclopentane-1-carboxamide

1-(2-chlorophenyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclopentane-1-carboxamide (PubChem CID 100666490) has the molecular formula C22H27ClN2O2 and a molecular weight of 386.92 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclopentane-1-carboxamide
PubChem CID100666490
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC Name1-(2-chlorophenyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclopentane-1-carboxamide
SMILESCN(C)CCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1
InChIInChI=1S/C22H27ClN2O2/c1-25(2)15-16-27-18-11-9-17(10-12-18)24-21(26)22(13-5-6-14-22)19-7-3-4-8-20(19)23/h3-4,7-12H,5-6,13-16H2,1-2H3,(H,24,26)
InChIKeyNULROPOLTXZSDK-UHFFFAOYSA-N
XLogP4.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dichlorophenyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclohexane-1-carboxamide
CID 100677257
N-[4-[2-(azepan-1-yl)ethoxy]phenyl]-1-(2-chlorophenyl)cyclopentane-1-carboxamide
CID 100666686
N-[4-[3-(dimethylamino)propoxy]phenyl]-1-phenylcyclopentane-1-carboxamide
CID 100658314
1-(2-chlorophenyl)-N-[4-[3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]cyclopentane-1-carboxamide
CID 100666816
1-(2-chlorophenyl)-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]cyclopentane-1-carboxamide
CID 133188318
N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111536806
N-[4-[3-(dimethylamino)propoxy]phenyl]-1-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 100674265
N-[4-[3-(diethylamino)propoxy]phenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide
CID 100673292
N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylpiperidine-3-carboxamide
CID 119946458
1-(2-chlorophenyl)-N-(6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide
CID 100771541
N-[4-[3-(diethylamino)propoxy]phenyl]-1-phenylcyclopentane-1-carboxamide
CID 100658332
N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(4-methylphenyl)oxane-4-carboxamide
CID 99082650

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclopentane-1-carboxamide (CID 100666490) is 1-(2-chlorophenyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclopentane-1-carboxamide is CN(C)CCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclopentane-1-carboxamide?
The InChIKey is NULROPOLTXZSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O2/c1-25(2)15-16-27-18-11-9-17(10-12-18)24-21(26)22(13-5-6-14-22)19-7-3-4-8-20(19)23/h3-4,7-12H,5-6,13-16H2,1-2H3,(H,24,26).
What are the key properties of 1-(2-chlorophenyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclopentane-1-carboxamide?
1-(2-chlorophenyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclopentane-1-carboxamide has a molecular weight of 386.92 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 100666490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).