N-(9-ethylcarbazol-3-yl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide

C27H20F3N3O — CID 59673479

IUPACN-(9-ethylcarbazol-3-yl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCCn1c2ccccc2c2cc(NC(=O)c3ccc(-c4cc(C(F)(F)F)ccn4)cc3)ccc21
InChIInChI=1S/C27H20F3N3O/c1-2-33-24-6-4-3-5-21(24)22-16-20(11-12-25(22)33)32-26(34)18-9-7-17(8-10-18)23-15-19(13-14-31-23)27(28,29)30/h3-16H,2H2,1H3,(H,32,34)
InChIKeyOJCQRSXDDMGARZ-UHFFFAOYSA-N
MW459.47 g/mol
LogP7.15
Rot. Bonds4

About N-(9-ethylcarbazol-3-yl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide

N-(9-ethylcarbazol-3-yl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 59673479) has the molecular formula C27H20F3N3O and a molecular weight of 459.47 g/mol. Its IUPAC name is N-(9-ethylcarbazol-3-yl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-(9-ethylcarbazol-3-yl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID59673479
Molecular FormulaC27H20F3N3O
Molecular Weight459.47 g/mol
Exact Mass459.16
IUPAC NameN-(9-ethylcarbazol-3-yl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCCn1c2ccccc2c2cc(NC(=O)c3ccc(-c4cc(C(F)(F)F)ccn4)cc3)ccc21
InChIInChI=1S/C27H20F3N3O/c1-2-33-24-6-4-3-5-21(24)22-16-20(11-12-25(22)33)32-26(34)18-9-7-17(8-10-18)23-15-19(13-14-31-23)27(28,29)30/h3-16H,2H2,1H3,(H,32,34)
InChIKeyOJCQRSXDDMGARZ-UHFFFAOYSA-N
XLogP7.15
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.47
LogP ≤ 57.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(9-ethylcarbazol-3-yl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of N-(9-ethylcarbazol-3-yl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide (CID 59673479) is N-(9-ethylcarbazol-3-yl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for N-(9-ethylcarbazol-3-yl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for N-(9-ethylcarbazol-3-yl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide is CCn1c2ccccc2c2cc(NC(=O)c3ccc(-c4cc(C(F)(F)F)ccn4)cc3)ccc21.
What is the InChIKey of N-(9-ethylcarbazol-3-yl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is OJCQRSXDDMGARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F3N3O/c1-2-33-24-6-4-3-5-21(24)22-16-20(11-12-25(22)33)32-26(34)18-9-7-17(8-10-18)23-15-19(13-14-31-23)27(28,29)30/h3-16H,2H2,1H3,(H,32,34).
What are the key properties of N-(9-ethylcarbazol-3-yl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
N-(9-ethylcarbazol-3-yl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 459.47 g/mol, XLogP of 7.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-ethylcarbazol-3-yl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 59673479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).