2-chloro-N-(4-fluorophenyl)-5-nitro-N-(2,2,2-trifluoroethyl)benzamide

C15H9ClF4N2O3 — CID 122618117

IUPAC2-chloro-N-(4-fluorophenyl)-5-nitro-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(c1cc([N+](=O)[O-])ccc1Cl)N(CC(F)(F)F)c1ccc(F)cc1
InChIInChI=1S/C15H9ClF4N2O3/c16-13-6-5-11(22(24)25)7-12(13)14(23)21(8-15(18,19)20)10-3-1-9(17)2-4-10/h1-7H,8H2
InChIKeyMJPXMKHQESKBHL-UHFFFAOYSA-N
MW376.69 g/mol
LogP4.60
Rot. Bonds4

About 2-chloro-N-(4-fluorophenyl)-5-nitro-N-(2,2,2-trifluoroethyl)benzamide

2-chloro-N-(4-fluorophenyl)-5-nitro-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 122618117) has the molecular formula C15H9ClF4N2O3 and a molecular weight of 376.69 g/mol. Its IUPAC name is 2-chloro-N-(4-fluorophenyl)-5-nitro-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(4-fluorophenyl)-5-nitro-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID122618117
Molecular FormulaC15H9ClF4N2O3
Molecular Weight376.69 g/mol
Exact Mass376.02
IUPAC Name2-chloro-N-(4-fluorophenyl)-5-nitro-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(c1cc([N+](=O)[O-])ccc1Cl)N(CC(F)(F)F)c1ccc(F)cc1
InChIInChI=1S/C15H9ClF4N2O3/c16-13-6-5-11(22(24)25)7-12(13)14(23)21(8-15(18,19)20)10-3-1-9(17)2-4-10/h1-7H,8H2
InChIKeyMJPXMKHQESKBHL-UHFFFAOYSA-N
XLogP4.60
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.69
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloro-5-nitrophenyl)-4,4,4-trifluorobutan-1-one
CID 153206867
2-chloro-5-nitro-N-(3,3,3-trifluoropropyl)benzamide
CID 55175918
2-chloro-N-(2,4-difluorophenyl)-N-methyl-5-nitrobenzamide
CID 122619129
2-chloro-N-ethyl-N-methyl-5-nitrobenzamide
CID 43243488
N,N-bis(2-amino-2-oxoethyl)-2-chloro-5-nitrobenzamide
CID 62923761
2-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-5-nitrobenzamide
CID 78801742
2-chloro-N-[2-(4-fluoro-N-(4-methylbenzoyl)anilino)ethyl]-4-nitrobenzamide
CID 42724527
N-(4-fluorophenyl)-2-iodo-5-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 55889095
N-[(2-chloro-5-nitrophenyl)methyl]-2,2,2-trifluoro-N-methylethanamine
CID 60733726
N,N-di(butan-2-yl)-2-chloro-5-nitrobenzamide
CID 4526092
2-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)-5-nitro-N-(pyridin-3-ylmethyl)benzamide
CID 16802775
CID 161054765
CID 161054765

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-fluorophenyl)-5-nitro-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2-chloro-N-(4-fluorophenyl)-5-nitro-N-(2,2,2-trifluoroethyl)benzamide (CID 122618117) is 2-chloro-N-(4-fluorophenyl)-5-nitro-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2-chloro-N-(4-fluorophenyl)-5-nitro-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2-chloro-N-(4-fluorophenyl)-5-nitro-N-(2,2,2-trifluoroethyl)benzamide is O=C(c1cc([N+](=O)[O-])ccc1Cl)N(CC(F)(F)F)c1ccc(F)cc1.
What is the InChIKey of 2-chloro-N-(4-fluorophenyl)-5-nitro-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is MJPXMKHQESKBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF4N2O3/c16-13-6-5-11(22(24)25)7-12(13)14(23)21(8-15(18,19)20)10-3-1-9(17)2-4-10/h1-7H,8H2.
What are the key properties of 2-chloro-N-(4-fluorophenyl)-5-nitro-N-(2,2,2-trifluoroethyl)benzamide?
2-chloro-N-(4-fluorophenyl)-5-nitro-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 376.69 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-fluorophenyl)-5-nitro-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 122618117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).