2-chloro-N-[10-methyl-6-oxo-3-(trifluoromethyl)-5H-phenanthridin-2-yl]acetamide

C17H12ClF3N2O2 — CID 10177097

IUPAC2-chloro-N-[10-methyl-6-oxo-3-(trifluoromethyl)-5H-phenanthridin-2-yl]acetamide
SMILESCc1cccc2c(=O)[nH]c3cc(C(F)(F)F)c(NC(=O)CCl)cc3c12
InChIInChI=1S/C17H12ClF3N2O2/c1-8-3-2-4-9-15(8)10-5-13(22-14(24)7-18)11(17(19,20)21)6-12(10)23-16(9)25/h2-6H,7H2,1H3,(H,22,24)(H,23,25)
InChIKeyDBTYRAXAZLBSRA-UHFFFAOYSA-N
MW368.74 g/mol
LogP4.19
Rot. Bonds2

About 2-chloro-N-[10-methyl-6-oxo-3-(trifluoromethyl)-5H-phenanthridin-2-yl]acetamide

2-chloro-N-[10-methyl-6-oxo-3-(trifluoromethyl)-5H-phenanthridin-2-yl]acetamide (PubChem CID 10177097) has the molecular formula C17H12ClF3N2O2 and a molecular weight of 368.74 g/mol. Its IUPAC name is 2-chloro-N-[10-methyl-6-oxo-3-(trifluoromethyl)-5H-phenanthridin-2-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[10-methyl-6-oxo-3-(trifluoromethyl)-5H-phenanthridin-2-yl]acetamide
PubChem CID10177097
Molecular FormulaC17H12ClF3N2O2
Molecular Weight368.74 g/mol
Exact Mass368.05
IUPAC Name2-chloro-N-[10-methyl-6-oxo-3-(trifluoromethyl)-5H-phenanthridin-2-yl]acetamide
SMILESCc1cccc2c(=O)[nH]c3cc(C(F)(F)F)c(NC(=O)CCl)cc3c12
InChIInChI=1S/C17H12ClF3N2O2/c1-8-3-2-4-9-15(8)10-5-13(22-14(24)7-18)11(17(19,20)21)6-12(10)23-16(9)25/h2-6H,7H2,1H3,(H,22,24)(H,23,25)
InChIKeyDBTYRAXAZLBSRA-UHFFFAOYSA-N
XLogP4.19
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.74
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[10-methyl-6-oxo-3-(trifluoromethyl)-5H-phenanthridin-2-yl]acetamide?
The IUPAC name of 2-chloro-N-[10-methyl-6-oxo-3-(trifluoromethyl)-5H-phenanthridin-2-yl]acetamide (CID 10177097) is 2-chloro-N-[10-methyl-6-oxo-3-(trifluoromethyl)-5H-phenanthridin-2-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[10-methyl-6-oxo-3-(trifluoromethyl)-5H-phenanthridin-2-yl]acetamide?
The canonical SMILES for 2-chloro-N-[10-methyl-6-oxo-3-(trifluoromethyl)-5H-phenanthridin-2-yl]acetamide is Cc1cccc2c(=O)[nH]c3cc(C(F)(F)F)c(NC(=O)CCl)cc3c12.
What is the InChIKey of 2-chloro-N-[10-methyl-6-oxo-3-(trifluoromethyl)-5H-phenanthridin-2-yl]acetamide?
The InChIKey is DBTYRAXAZLBSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N2O2/c1-8-3-2-4-9-15(8)10-5-13(22-14(24)7-18)11(17(19,20)21)6-12(10)23-16(9)25/h2-6H,7H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 2-chloro-N-[10-methyl-6-oxo-3-(trifluoromethyl)-5H-phenanthridin-2-yl]acetamide?
2-chloro-N-[10-methyl-6-oxo-3-(trifluoromethyl)-5H-phenanthridin-2-yl]acetamide has a molecular weight of 368.74 g/mol, XLogP of 4.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[10-methyl-6-oxo-3-(trifluoromethyl)-5H-phenanthridin-2-yl]acetamide is sourced from PubChem (CID 10177097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).