N-[(3,5-dichlorophenyl)methyl]-3,5-bis(trifluoromethyl)benzamide

C16H9Cl2F6NO — CID 2805805

IUPACN-[(3,5-dichlorophenyl)methyl]-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(NCc1cc(Cl)cc(Cl)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C16H9Cl2F6NO/c17-12-1-8(2-13(18)6-12)7-25-14(26)9-3-10(15(19,20)21)5-11(4-9)16(22,23)24/h1-6H,7H2,(H,25,26)
InChIKeyORNMOCKHEIMSDO-UHFFFAOYSA-N
MW416.15 g/mol
LogP5.96
Rot. Bonds3

About N-[(3,5-dichlorophenyl)methyl]-3,5-bis(trifluoromethyl)benzamide

N-[(3,5-dichlorophenyl)methyl]-3,5-bis(trifluoromethyl)benzamide (PubChem CID 2805805) has the molecular formula C16H9Cl2F6NO and a molecular weight of 416.15 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)methyl]-3,5-bis(trifluoromethyl)benzamide
PubChem CID2805805
Molecular FormulaC16H9Cl2F6NO
Molecular Weight416.15 g/mol
Exact Mass415.00
IUPAC NameN-[(3,5-dichlorophenyl)methyl]-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(NCc1cc(Cl)cc(Cl)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C16H9Cl2F6NO/c17-12-1-8(2-13(18)6-12)7-25-14(26)9-3-10(15(19,20)21)5-11(4-9)16(22,23)24/h1-6H,7H2,(H,25,26)
InChIKeyORNMOCKHEIMSDO-UHFFFAOYSA-N
XLogP5.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.15
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)methyl]-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[(3,5-dichlorophenyl)methyl]-3,5-bis(trifluoromethyl)benzamide (CID 2805805) is N-[(3,5-dichlorophenyl)methyl]-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]-3,5-bis(trifluoromethyl)benzamide is O=C(NCc1cc(Cl)cc(Cl)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is ORNMOCKHEIMSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2F6NO/c17-12-1-8(2-13(18)6-12)7-25-14(26)9-3-10(15(19,20)21)5-11(4-9)16(22,23)24/h1-6H,7H2,(H,25,26).
What are the key properties of N-[(3,5-dichlorophenyl)methyl]-3,5-bis(trifluoromethyl)benzamide?
N-[(3,5-dichlorophenyl)methyl]-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 416.15 g/mol, XLogP of 5.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)methyl]-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 2805805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).