2,5-dichloro-N-(2-chloro-1-phenylethyl)benzamide

C15H12Cl3NO — CID 114300057

IUPAC2,5-dichloro-N-(2-chloro-1-phenylethyl)benzamide
SMILESO=C(NC(CCl)c1ccccc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H12Cl3NO/c16-9-14(10-4-2-1-3-5-10)19-15(20)12-8-11(17)6-7-13(12)18/h1-8,14H,9H2,(H,19,20)
InChIKeySSFNUNDHITTXJC-UHFFFAOYSA-N
MW328.63 g/mol
LogP4.70
Rot. Bonds4

About 2,5-dichloro-N-(2-chloro-1-phenylethyl)benzamide

2,5-dichloro-N-(2-chloro-1-phenylethyl)benzamide (PubChem CID 114300057) has the molecular formula C15H12Cl3NO and a molecular weight of 328.63 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-chloro-1-phenylethyl)benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2-chloro-1-phenylethyl)benzamide
PubChem CID114300057
Molecular FormulaC15H12Cl3NO
Molecular Weight328.63 g/mol
Exact Mass327.00
IUPAC Name2,5-dichloro-N-(2-chloro-1-phenylethyl)benzamide
SMILESO=C(NC(CCl)c1ccccc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H12Cl3NO/c16-9-14(10-4-2-1-3-5-10)19-15(20)12-8-11(17)6-7-13(12)18/h1-8,14H,9H2,(H,19,20)
InChIKeySSFNUNDHITTXJC-UHFFFAOYSA-N
XLogP4.70
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 ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2-chloro-1-phenylethyl)-4-methylbenzamide
CID 106863896
N-(2-bromo-1-phenylethyl)-2,4-dichlorobenzamide
CID 114311124
N-(2-chloro-1-phenylethyl)-2,4-dihydroxybenzamide
CID 107725945
N-(2-chloro-1-phenylethyl)-2-fluoro-4-methylbenzamide
CID 114300235
N-(2-chloro-1-phenylethyl)-2-ethylbenzamide
CID 114300081
4-chloro-2-hydroxy-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63182530
5-bromo-2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103772690
3-chloro-N-(2-chloro-1-phenylethyl)-4-hydroxybenzamide
CID 114300062
5-chloro-N-(2-hydroxy-1-phenylethyl)-2-methoxybenzamide
CID 63184777
N-(2-chloro-1-phenylethyl)-3,4,5-trifluorobenzamide
CID 114300143
2-bromo-4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 103945177
N-(2-bromo-2-phenylethyl)-2,5-dichlorobenzamide
CID 114308255

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-chloro-1-phenylethyl)benzamide?
The IUPAC name of 2,5-dichloro-N-(2-chloro-1-phenylethyl)benzamide (CID 114300057) is 2,5-dichloro-N-(2-chloro-1-phenylethyl)benzamide.
What is the SMILES notation for 2,5-dichloro-N-(2-chloro-1-phenylethyl)benzamide?
The canonical SMILES for 2,5-dichloro-N-(2-chloro-1-phenylethyl)benzamide is O=C(NC(CCl)c1ccccc1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2-chloro-1-phenylethyl)benzamide?
The InChIKey is SSFNUNDHITTXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3NO/c16-9-14(10-4-2-1-3-5-10)19-15(20)12-8-11(17)6-7-13(12)18/h1-8,14H,9H2,(H,19,20).
What are the key properties of 2,5-dichloro-N-(2-chloro-1-phenylethyl)benzamide?
2,5-dichloro-N-(2-chloro-1-phenylethyl)benzamide has a molecular weight of 328.63 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2-chloro-1-phenylethyl)benzamide is sourced from PubChem (CID 114300057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).