N-[4-[5-chloro-2-nitro-4-(trifluoromethyl)anilino]phenyl]acetamide

C15H11ClF3N3O3 — CID 3666137

IUPACN-[4-[5-chloro-2-nitro-4-(trifluoromethyl)anilino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C15H11ClF3N3O3/c1-8(23)20-9-2-4-10(5-3-9)21-13-7-12(16)11(15(17,18)19)6-14(13)22(24)25/h2-7,21H,1H3,(H,20,23)
InChIKeyGDNVZZQYFQGNLX-UHFFFAOYSA-N
MW373.72 g/mol
LogP4.97
Rot. Bonds4

About N-[4-[5-chloro-2-nitro-4-(trifluoromethyl)anilino]phenyl]acetamide

N-[4-[5-chloro-2-nitro-4-(trifluoromethyl)anilino]phenyl]acetamide (PubChem CID 3666137) has the molecular formula C15H11ClF3N3O3 and a molecular weight of 373.72 g/mol. Its IUPAC name is N-[4-[5-chloro-2-nitro-4-(trifluoromethyl)anilino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-chloro-2-nitro-4-(trifluoromethyl)anilino]phenyl]acetamide
PubChem CID3666137
Molecular FormulaC15H11ClF3N3O3
Molecular Weight373.72 g/mol
Exact Mass373.04
IUPAC NameN-[4-[5-chloro-2-nitro-4-(trifluoromethyl)anilino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C15H11ClF3N3O3/c1-8(23)20-9-2-4-10(5-3-9)21-13-7-12(16)11(15(17,18)19)6-14(13)22(24)25/h2-7,21H,1H3,(H,20,23)
InChIKeyGDNVZZQYFQGNLX-UHFFFAOYSA-N
XLogP4.97
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.72
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-chloro-2-nitro-4-(trifluoromethyl)anilino]phenyl]acetamide?
The IUPAC name of N-[4-[5-chloro-2-nitro-4-(trifluoromethyl)anilino]phenyl]acetamide (CID 3666137) is N-[4-[5-chloro-2-nitro-4-(trifluoromethyl)anilino]phenyl]acetamide.
What is the SMILES notation for N-[4-[5-chloro-2-nitro-4-(trifluoromethyl)anilino]phenyl]acetamide?
The canonical SMILES for N-[4-[5-chloro-2-nitro-4-(trifluoromethyl)anilino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])cc1.
What is the InChIKey of N-[4-[5-chloro-2-nitro-4-(trifluoromethyl)anilino]phenyl]acetamide?
The InChIKey is GDNVZZQYFQGNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3N3O3/c1-8(23)20-9-2-4-10(5-3-9)21-13-7-12(16)11(15(17,18)19)6-14(13)22(24)25/h2-7,21H,1H3,(H,20,23).
What are the key properties of N-[4-[5-chloro-2-nitro-4-(trifluoromethyl)anilino]phenyl]acetamide?
N-[4-[5-chloro-2-nitro-4-(trifluoromethyl)anilino]phenyl]acetamide has a molecular weight of 373.72 g/mol, XLogP of 4.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-chloro-2-nitro-4-(trifluoromethyl)anilino]phenyl]acetamide is sourced from PubChem (CID 3666137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).