N-[2-(2-chlorophenyl)ethyl]-4-(2-phenylethynyl)benzamide

C23H18ClNO — CID 25126325

IUPACN-[2-(2-chlorophenyl)ethyl]-4-(2-phenylethynyl)benzamide
SMILESO=C(NCCc1ccccc1Cl)c1ccc(C#Cc2ccccc2)cc1
InChIInChI=1S/C23H18ClNO/c24-22-9-5-4-8-20(22)16-17-25-23(26)21-14-12-19(13-15-21)11-10-18-6-2-1-3-7-18/h1-9,12-15H,16-17H2,(H,25,26)
InChIKeyJWFNVTNBXACNCQ-UHFFFAOYSA-N
MW359.86 g/mol
LogP4.71
Rot. Bonds4

About N-[2-(2-chlorophenyl)ethyl]-4-(2-phenylethynyl)benzamide

N-[2-(2-chlorophenyl)ethyl]-4-(2-phenylethynyl)benzamide (PubChem CID 25126325) has the molecular formula C23H18ClNO and a molecular weight of 359.86 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)ethyl]-4-(2-phenylethynyl)benzamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)ethyl]-4-(2-phenylethynyl)benzamide
PubChem CID25126325
Molecular FormulaC23H18ClNO
Molecular Weight359.86 g/mol
Exact Mass359.11
IUPAC NameN-[2-(2-chlorophenyl)ethyl]-4-(2-phenylethynyl)benzamide
SMILESO=C(NCCc1ccccc1Cl)c1ccc(C#Cc2ccccc2)cc1
InChIInChI=1S/C23H18ClNO/c24-22-9-5-4-8-20(22)16-17-25-23(26)21-14-12-19(13-15-21)11-10-18-6-2-1-3-7-18/h1-9,12-15H,16-17H2,(H,25,26)
InChIKeyJWFNVTNBXACNCQ-UHFFFAOYSA-N
XLogP4.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-3-oxopropyl)-4-(2-phenylethynyl)benzamide
CID 171539123
N-(3,3-dimethylbutyl)-4-(2-phenylethynyl)benzamide
CID 25125996
4-[[amino(pyrrolidin-1-yl)methylidene]amino]-N-[2-(2-chlorophenyl)ethyl]benzamide
CID 67613976
N-[2-(2-chlorophenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 50772841
4-chloro-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]benzamide
CID 2742022
N-[(2-chlorophenyl)methyl]-4-(cyanomethyl)benzamide
CID 82178844
N-[2-(2-chlorophenyl)ethyl]-4-(2-phenylethynyl)benzamide;N-[2-(4-chlorophenyl)ethyl]-4-(2-phenylethynyl)benzamide;N-(2,3-dihydro-1H-inden-1-yl)-4-(2-phenylethynyl)benzamide;N-(2,3-dihydro-1H-inden-2-yl)-4-(2-phenylethynyl)benzamide;4-(2-phenylethynyl)-N-(2-piperidin-1-ylethyl)benzamide
CID 158459145
N-[2-(2-chlorophenyl)ethyl]-5-methylpyridine-3-carboxamide
CID 11608789
N-[2-(2-chlorophenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 5142730
4-[(2-chlorophenyl)methoxy]-N-(2-hydroxyethyl)benzamide
CID 6462842
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
4-[(2-chlorophenyl)methoxy]-N-(2-methoxyethyl)benzamide
CID 6462098

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)ethyl]-4-(2-phenylethynyl)benzamide?
The IUPAC name of N-[2-(2-chlorophenyl)ethyl]-4-(2-phenylethynyl)benzamide (CID 25126325) is N-[2-(2-chlorophenyl)ethyl]-4-(2-phenylethynyl)benzamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)ethyl]-4-(2-phenylethynyl)benzamide?
The canonical SMILES for N-[2-(2-chlorophenyl)ethyl]-4-(2-phenylethynyl)benzamide is O=C(NCCc1ccccc1Cl)c1ccc(C#Cc2ccccc2)cc1.
What is the InChIKey of N-[2-(2-chlorophenyl)ethyl]-4-(2-phenylethynyl)benzamide?
The InChIKey is JWFNVTNBXACNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClNO/c24-22-9-5-4-8-20(22)16-17-25-23(26)21-14-12-19(13-15-21)11-10-18-6-2-1-3-7-18/h1-9,12-15H,16-17H2,(H,25,26).
What are the key properties of N-[2-(2-chlorophenyl)ethyl]-4-(2-phenylethynyl)benzamide?
N-[2-(2-chlorophenyl)ethyl]-4-(2-phenylethynyl)benzamide has a molecular weight of 359.86 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)ethyl]-4-(2-phenylethynyl)benzamide is sourced from PubChem (CID 25126325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).