N-[4-(2,3-dimethoxyphenyl)-3-pyridinyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide

C23H18F6N2O3 — CID 86670778

IUPACN-[4-(2,3-dimethoxyphenyl)-3-pyridinyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
SMILESCOc1cccc(-c2ccncc2N(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1OC
InChIInChI=1S/C23H18F6N2O3/c1-31(21(32)13-9-14(22(24,25)26)11-15(10-13)23(27,28)29)18-12-30-8-7-16(18)17-5-4-6-19(33-2)20(17)34-3/h4-12H,1-3H3
InChIKeyDCBQJMAIPXRYQE-UHFFFAOYSA-N
MW484.40 g/mol
LogP6.08
Rot. Bonds5

About N-[4-(2,3-dimethoxyphenyl)-3-pyridinyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide

N-[4-(2,3-dimethoxyphenyl)-3-pyridinyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide (PubChem CID 86670778) has the molecular formula C23H18F6N2O3 and a molecular weight of 484.40 g/mol. Its IUPAC name is N-[4-(2,3-dimethoxyphenyl)-3-pyridinyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-(2,3-dimethoxyphenyl)-3-pyridinyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
PubChem CID86670778
Molecular FormulaC23H18F6N2O3
Molecular Weight484.40 g/mol
Exact Mass484.12
IUPAC NameN-[4-(2,3-dimethoxyphenyl)-3-pyridinyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
SMILESCOc1cccc(-c2ccncc2N(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1OC
InChIInChI=1S/C23H18F6N2O3/c1-31(21(32)13-9-14(22(24,25)26)11-15(10-13)23(27,28)29)18-12-30-8-7-16(18)17-5-4-6-19(33-2)20(17)34-3/h4-12H,1-3H3
InChIKeyDCBQJMAIPXRYQE-UHFFFAOYSA-N
XLogP6.08
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.40
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dimethoxyphenyl)-3-pyridinyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[4-(2,3-dimethoxyphenyl)-3-pyridinyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide (CID 86670778) is N-[4-(2,3-dimethoxyphenyl)-3-pyridinyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-(2,3-dimethoxyphenyl)-3-pyridinyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-(2,3-dimethoxyphenyl)-3-pyridinyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide is COc1cccc(-c2ccncc2N(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1OC.
What is the InChIKey of N-[4-(2,3-dimethoxyphenyl)-3-pyridinyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is DCBQJMAIPXRYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F6N2O3/c1-31(21(32)13-9-14(22(24,25)26)11-15(10-13)23(27,28)29)18-12-30-8-7-16(18)17-5-4-6-19(33-2)20(17)34-3/h4-12H,1-3H3.
What are the key properties of N-[4-(2,3-dimethoxyphenyl)-3-pyridinyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide?
N-[4-(2,3-dimethoxyphenyl)-3-pyridinyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 484.40 g/mol, XLogP of 6.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dimethoxyphenyl)-3-pyridinyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 86670778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).