2,3,6-trichloro-N-(2-phenylethyl)benzamide

C15H12Cl3NO — CID 19171105

IUPAC2,3,6-trichloro-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1c(Cl)ccc(Cl)c1Cl
InChIInChI=1S/C15H12Cl3NO/c16-11-6-7-12(17)14(18)13(11)15(20)19-9-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,19,20)
InChIKeyRDRVXQPBYYAPEM-UHFFFAOYSA-N
MW328.63 g/mol
LogP4.62
Rot. Bonds4

About 2,3,6-trichloro-N-(2-phenylethyl)benzamide

2,3,6-trichloro-N-(2-phenylethyl)benzamide (PubChem CID 19171105) has the molecular formula C15H12Cl3NO and a molecular weight of 328.63 g/mol. Its IUPAC name is 2,3,6-trichloro-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2,3,6-trichloro-N-(2-phenylethyl)benzamide
PubChem CID19171105
Molecular FormulaC15H12Cl3NO
Molecular Weight328.63 g/mol
Exact Mass327.00
IUPAC Name2,3,6-trichloro-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1c(Cl)ccc(Cl)c1Cl
InChIInChI=1S/C15H12Cl3NO/c16-11-6-7-12(17)14(18)13(11)15(20)19-9-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,19,20)
InChIKeyRDRVXQPBYYAPEM-UHFFFAOYSA-N
XLogP4.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.63
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
2,4,5,6-tetrafluoro-1-N,3-N-bis(2-phenylethyl)benzene-1,3-dicarboxamide
CID 1109048
2,6-dichloro-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 1122033
molecular hydrogen;2-phenylethylcarbamic acid
CID 145072858
3-(2,6-dichlorophenyl)-N-(2-phenylethyl)benzamide
CID 86048215
5-chloro-6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide
CID 110852311
4-[2-[(2-chlorobenzoyl)amino]ethyl]benzoic acid
CID 43233735
2-amino-6-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 63658240
(E)-3-(2,3-dichlorophenyl)-N-(2-phenylethyl)prop-2-enamide
CID 127030404
2-phenylethylcarbamothioic S-acid
CID 11116669
2,2,2-trideuterio-N-(2-phenylethyl)acetamide
CID 16656655
6-amino-5-chloro-N-(2-phenylethyl)pyridine-3-carboxamide
CID 55043054

Frequently Asked Questions

What is the IUPAC name of 2,3,6-trichloro-N-(2-phenylethyl)benzamide?
The IUPAC name of 2,3,6-trichloro-N-(2-phenylethyl)benzamide (CID 19171105) is 2,3,6-trichloro-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2,3,6-trichloro-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2,3,6-trichloro-N-(2-phenylethyl)benzamide is O=C(NCCc1ccccc1)c1c(Cl)ccc(Cl)c1Cl.
What is the InChIKey of 2,3,6-trichloro-N-(2-phenylethyl)benzamide?
The InChIKey is RDRVXQPBYYAPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3NO/c16-11-6-7-12(17)14(18)13(11)15(20)19-9-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,19,20).
What are the key properties of 2,3,6-trichloro-N-(2-phenylethyl)benzamide?
2,3,6-trichloro-N-(2-phenylethyl)benzamide has a molecular weight of 328.63 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trichloro-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 19171105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).