3-[(2-chloroacetyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide

C16H12ClF3N2O2 — CID 2363664

IUPAC3-[(2-chloroacetyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(CCl)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H12ClF3N2O2/c17-9-14(23)21-12-5-1-3-10(7-12)15(24)22-13-6-2-4-11(8-13)16(18,19)20/h1-8H,9H2,(H,21,23)(H,22,24)
InChIKeyNQICBDPFUAPOJE-UHFFFAOYSA-N
MW356.73 g/mol
LogP4.14
Rot. Bonds4

About 3-[(2-chloroacetyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide

3-[(2-chloroacetyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 2363664) has the molecular formula C16H12ClF3N2O2 and a molecular weight of 356.73 g/mol. Its IUPAC name is 3-[(2-chloroacetyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-[(2-chloroacetyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID2363664
Molecular FormulaC16H12ClF3N2O2
Molecular Weight356.73 g/mol
Exact Mass356.05
IUPAC Name3-[(2-chloroacetyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(CCl)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H12ClF3N2O2/c17-9-14(23)21-12-5-1-3-10(7-12)15(24)22-13-6-2-4-11(8-13)16(18,19)20/h1-8H,9H2,(H,21,23)(H,22,24)
InChIKeyNQICBDPFUAPOJE-UHFFFAOYSA-N
XLogP4.14
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.73
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloroacetyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-[(2-chloroacetyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 2363664) is 3-[(2-chloroacetyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-[(2-chloroacetyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-[(2-chloroacetyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide is O=C(CCl)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-[(2-chloroacetyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is NQICBDPFUAPOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3N2O2/c17-9-14(23)21-12-5-1-3-10(7-12)15(24)22-13-6-2-4-11(8-13)16(18,19)20/h1-8H,9H2,(H,21,23)(H,22,24).
What are the key properties of 3-[(2-chloroacetyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
3-[(2-chloroacetyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 356.73 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloroacetyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 2363664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).