2-chloro-N-[[1-(ethylamino)cyclopentyl]-phenylmethyl]-3-(trifluoromethyl)benzamide

C22H24ClF3N2O — CID 69279489

IUPAC2-chloro-N-[[1-(ethylamino)cyclopentyl]-phenylmethyl]-3-(trifluoromethyl)benzamide
SMILESCCNC1(C(NC(=O)c2cccc(C(F)(F)F)c2Cl)c2ccccc2)CCCC1
InChIInChI=1S/C22H24ClF3N2O/c1-2-27-21(13-6-7-14-21)19(15-9-4-3-5-10-15)28-20(29)16-11-8-12-17(18(16)23)22(24,25)26/h3-5,8-12,19,27H,2,6-7,13-14H2,1H3,(H,28,29)
InChIKeyRWMCIUOPHLOLLZ-UHFFFAOYSA-N
MW424.89 g/mol
LogP5.75
Rot. Bonds6

About 2-chloro-N-[[1-(ethylamino)cyclopentyl]-phenylmethyl]-3-(trifluoromethyl)benzamide

2-chloro-N-[[1-(ethylamino)cyclopentyl]-phenylmethyl]-3-(trifluoromethyl)benzamide (PubChem CID 69279489) has the molecular formula C22H24ClF3N2O and a molecular weight of 424.89 g/mol. Its IUPAC name is 2-chloro-N-[[1-(ethylamino)cyclopentyl]-phenylmethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[[1-(ethylamino)cyclopentyl]-phenylmethyl]-3-(trifluoromethyl)benzamide
PubChem CID69279489
Molecular FormulaC22H24ClF3N2O
Molecular Weight424.89 g/mol
Exact Mass424.15
IUPAC Name2-chloro-N-[[1-(ethylamino)cyclopentyl]-phenylmethyl]-3-(trifluoromethyl)benzamide
SMILESCCNC1(C(NC(=O)c2cccc(C(F)(F)F)c2Cl)c2ccccc2)CCCC1
InChIInChI=1S/C22H24ClF3N2O/c1-2-27-21(13-6-7-14-21)19(15-9-4-3-5-10-15)28-20(29)16-11-8-12-17(18(16)23)22(24,25)26/h3-5,8-12,19,27H,2,6-7,13-14H2,1H3,(H,28,29)
InChIKeyRWMCIUOPHLOLLZ-UHFFFAOYSA-N
XLogP5.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.89
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[1-(ethylamino)cyclopentyl]-phenylmethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 2-chloro-N-[[1-(ethylamino)cyclopentyl]-phenylmethyl]-3-(trifluoromethyl)benzamide (CID 69279489) is 2-chloro-N-[[1-(ethylamino)cyclopentyl]-phenylmethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-chloro-N-[[1-(ethylamino)cyclopentyl]-phenylmethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 2-chloro-N-[[1-(ethylamino)cyclopentyl]-phenylmethyl]-3-(trifluoromethyl)benzamide is CCNC1(C(NC(=O)c2cccc(C(F)(F)F)c2Cl)c2ccccc2)CCCC1.
What is the InChIKey of 2-chloro-N-[[1-(ethylamino)cyclopentyl]-phenylmethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is RWMCIUOPHLOLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClF3N2O/c1-2-27-21(13-6-7-14-21)19(15-9-4-3-5-10-15)28-20(29)16-11-8-12-17(18(16)23)22(24,25)26/h3-5,8-12,19,27H,2,6-7,13-14H2,1H3,(H,28,29).
What are the key properties of 2-chloro-N-[[1-(ethylamino)cyclopentyl]-phenylmethyl]-3-(trifluoromethyl)benzamide?
2-chloro-N-[[1-(ethylamino)cyclopentyl]-phenylmethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 424.89 g/mol, XLogP of 5.75, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[1-(ethylamino)cyclopentyl]-phenylmethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 69279489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).