N-[(3-chlorophenyl)-[1-(dimethylamino)cyclopentyl]methyl]-2,4-bis(trifluoromethyl)benzamide

C23H23ClF6N2O — CID 11620175

IUPACN-[(3-chlorophenyl)-[1-(dimethylamino)cyclopentyl]methyl]-2,4-bis(trifluoromethyl)benzamide
SMILESCN(C)C1(C(NC(=O)c2ccc(C(F)(F)F)cc2C(F)(F)F)c2cccc(Cl)c2)CCCC1
InChIInChI=1S/C23H23ClF6N2O/c1-32(2)21(10-3-4-11-21)19(14-6-5-7-16(24)12-14)31-20(33)17-9-8-15(22(25,26)27)13-18(17)23(28,29)30/h5-9,12-13,19H,3-4,10-11H2,1-2H3,(H,31,33)
InChIKeyGDGVTZBLGKOMKP-UHFFFAOYSA-N
MW492.89 g/mol
LogP6.72
Rot. Bonds5

About N-[(3-chlorophenyl)-[1-(dimethylamino)cyclopentyl]methyl]-2,4-bis(trifluoromethyl)benzamide

N-[(3-chlorophenyl)-[1-(dimethylamino)cyclopentyl]methyl]-2,4-bis(trifluoromethyl)benzamide (PubChem CID 11620175) has the molecular formula C23H23ClF6N2O and a molecular weight of 492.89 g/mol. Its IUPAC name is N-[(3-chlorophenyl)-[1-(dimethylamino)cyclopentyl]methyl]-2,4-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)-[1-(dimethylamino)cyclopentyl]methyl]-2,4-bis(trifluoromethyl)benzamide
PubChem CID11620175
Molecular FormulaC23H23ClF6N2O
Molecular Weight492.89 g/mol
Exact Mass492.14
IUPAC NameN-[(3-chlorophenyl)-[1-(dimethylamino)cyclopentyl]methyl]-2,4-bis(trifluoromethyl)benzamide
SMILESCN(C)C1(C(NC(=O)c2ccc(C(F)(F)F)cc2C(F)(F)F)c2cccc(Cl)c2)CCCC1
InChIInChI=1S/C23H23ClF6N2O/c1-32(2)21(10-3-4-11-21)19(14-6-5-7-16(24)12-14)31-20(33)17-9-8-15(22(25,26)27)13-18(17)23(28,29)30/h5-9,12-13,19H,3-4,10-11H2,1-2H3,(H,31,33)
InChIKeyGDGVTZBLGKOMKP-UHFFFAOYSA-N
XLogP6.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.89
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)-[1-(dimethylamino)cyclopentyl]methyl]-2,4-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[(3-chlorophenyl)-[1-(dimethylamino)cyclopentyl]methyl]-2,4-bis(trifluoromethyl)benzamide (CID 11620175) is N-[(3-chlorophenyl)-[1-(dimethylamino)cyclopentyl]methyl]-2,4-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(3-chlorophenyl)-[1-(dimethylamino)cyclopentyl]methyl]-2,4-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[(3-chlorophenyl)-[1-(dimethylamino)cyclopentyl]methyl]-2,4-bis(trifluoromethyl)benzamide is CN(C)C1(C(NC(=O)c2ccc(C(F)(F)F)cc2C(F)(F)F)c2cccc(Cl)c2)CCCC1.
What is the InChIKey of N-[(3-chlorophenyl)-[1-(dimethylamino)cyclopentyl]methyl]-2,4-bis(trifluoromethyl)benzamide?
The InChIKey is GDGVTZBLGKOMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClF6N2O/c1-32(2)21(10-3-4-11-21)19(14-6-5-7-16(24)12-14)31-20(33)17-9-8-15(22(25,26)27)13-18(17)23(28,29)30/h5-9,12-13,19H,3-4,10-11H2,1-2H3,(H,31,33).
What are the key properties of N-[(3-chlorophenyl)-[1-(dimethylamino)cyclopentyl]methyl]-2,4-bis(trifluoromethyl)benzamide?
N-[(3-chlorophenyl)-[1-(dimethylamino)cyclopentyl]methyl]-2,4-bis(trifluoromethyl)benzamide has a molecular weight of 492.89 g/mol, XLogP of 6.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)-[1-(dimethylamino)cyclopentyl]methyl]-2,4-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 11620175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).