N-[[4-(2-chloroprop-2-enoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)benzamide

C24H20ClF3N2O2 — CID 42377327

IUPACN-[[4-(2-chloroprop-2-enoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)benzamide
SMILESC=C(Cl)COc1ccc(CN(Cc2cccnc2)C(=O)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C24H20ClF3N2O2/c1-17(25)16-32-20-10-8-18(9-11-20)14-30(15-19-5-4-12-29-13-19)23(31)21-6-2-3-7-22(21)24(26,27)28/h2-13H,1,14-16H2
InChIKeySRCRROOFZFNXPK-UHFFFAOYSA-N
MW460.88 g/mol
LogP6.07
Rot. Bonds8

About N-[[4-(2-chloroprop-2-enoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)benzamide

N-[[4-(2-chloroprop-2-enoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)benzamide (PubChem CID 42377327) has the molecular formula C24H20ClF3N2O2 and a molecular weight of 460.88 g/mol. Its IUPAC name is N-[[4-(2-chloroprop-2-enoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[4-(2-chloroprop-2-enoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)benzamide
PubChem CID42377327
Molecular FormulaC24H20ClF3N2O2
Molecular Weight460.88 g/mol
Exact Mass460.12
IUPAC NameN-[[4-(2-chloroprop-2-enoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)benzamide
SMILESC=C(Cl)COc1ccc(CN(Cc2cccnc2)C(=O)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C24H20ClF3N2O2/c1-17(25)16-32-20-10-8-18(9-11-20)14-30(15-19-5-4-12-29-13-19)23(31)21-6-2-3-7-22(21)24(26,27)28/h2-13H,1,14-16H2
InChIKeySRCRROOFZFNXPK-UHFFFAOYSA-N
XLogP6.07
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.88
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(2-chloroprop-2-enoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 42166205
N-[[4-(cyclohex-3-en-1-ylmethoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)benzamide
CID 45192491
N-[(6-chloro-3-pyridinyl)methyl]-N',N'-dimethyl-2-(trifluoromethyl)benzohydrazide
CID 126485566
1-(2-phenylethyl)-1-(pyridin-3-ylmethyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 60554553
N-[(4-but-2-ynoxyphenyl)methyl]-4-phenyl-N-(pyridin-3-ylmethyl)benzamide
CID 42429960
N-[(4-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 42796236
N-benzyl-N-(pyridin-3-ylmethyl)-2-(quinolin-8-ylsulfonylamino)benzamide
CID 12020675
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 42248306
N-[(4-methylphenyl)methyl]-N-prop-2-ynyl-2-(trifluoromethyl)benzamide
CID 52764442
N-[(4-ethylphenyl)methyl]-3-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 55595750
1-[(3-fluorophenyl)methyl]-1-(pyridin-3-ylmethyl)-3-[2-(trifluoromethyl)phenyl]thiourea
CID 17388204
N,N-dibenzyl-2-[4-(trifluoromethoxy)phenyl]benzamide
CID 10238595

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-chloroprop-2-enoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[[4-(2-chloroprop-2-enoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)benzamide (CID 42377327) is N-[[4-(2-chloroprop-2-enoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[4-(2-chloroprop-2-enoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[4-(2-chloroprop-2-enoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)benzamide is C=C(Cl)COc1ccc(CN(Cc2cccnc2)C(=O)c2ccccc2C(F)(F)F)cc1.
What is the InChIKey of N-[[4-(2-chloroprop-2-enoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)benzamide?
The InChIKey is SRCRROOFZFNXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF3N2O2/c1-17(25)16-32-20-10-8-18(9-11-20)14-30(15-19-5-4-12-29-13-19)23(31)21-6-2-3-7-22(21)24(26,27)28/h2-13H,1,14-16H2.
What are the key properties of N-[[4-(2-chloroprop-2-enoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)benzamide?
N-[[4-(2-chloroprop-2-enoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)benzamide has a molecular weight of 460.88 g/mol, XLogP of 6.07, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-chloroprop-2-enoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 42377327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).