2-chloro-N-[[4-(4-phenylphenyl)phenyl]methyl]acetamide

C21H18ClNO — CID 146595387

IUPAC2-chloro-N-[[4-(4-phenylphenyl)phenyl]methyl]acetamide
SMILESO=C(CCl)NCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C21H18ClNO/c22-14-21(24)23-15-16-6-8-18(9-7-16)20-12-10-19(11-13-20)17-4-2-1-3-5-17/h1-13H,14-15H2,(H,23,24)
InChIKeyCLEGHTJGISFHBQ-UHFFFAOYSA-N
MW335.83 g/mol
LogP4.88
Rot. Bonds5

About 2-chloro-N-[[4-(4-phenylphenyl)phenyl]methyl]acetamide

2-chloro-N-[[4-(4-phenylphenyl)phenyl]methyl]acetamide (PubChem CID 146595387) has the molecular formula C21H18ClNO and a molecular weight of 335.83 g/mol. Its IUPAC name is 2-chloro-N-[[4-(4-phenylphenyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[[4-(4-phenylphenyl)phenyl]methyl]acetamide
PubChem CID146595387
Molecular FormulaC21H18ClNO
Molecular Weight335.83 g/mol
Exact Mass335.11
IUPAC Name2-chloro-N-[[4-(4-phenylphenyl)phenyl]methyl]acetamide
SMILESO=C(CCl)NCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C21H18ClNO/c22-14-21(24)23-15-16-6-8-18(9-7-16)20-12-10-19(11-13-20)17-4-2-1-3-5-17/h1-13H,14-15H2,(H,23,24)
InChIKeyCLEGHTJGISFHBQ-UHFFFAOYSA-N
XLogP4.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.83
LogP ≤ 54.88
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

N-[[4-(aminomethyl)phenyl]methyl]-2-(4-phenylphenyl)acetamide
CID 71584523
N-[(4-aminophenyl)methyl]-2-chloroacetamide
CID 21219637
2-chloro-N-[(4-fluorophenyl)methyl]acetamide
CID 2303709
2-chloro-N-[(4-thiophen-2-ylphenyl)methyl]acetamide
CID 146105331
N-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]-2-(4-phenylphenyl)acetamide
CID 71583022
N-benzyl-3-chloropropanamide
CID 10391
2-chloro-N-[[4-(cyanomethyl)phenyl]methyl]acetamide
CID 167866083
2-chloro-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 9295463
2-cyano-N-[[4-(4-phenylphenoxy)phenyl]methyl]acetamide
CID 20985387
N-benzyl-3-chloropropanamide;oxalic acid
CID 70111231
lithium;N-benzyl-3-chloropropanamide;hydride
CID 173211913
2-chloro-N-[(3,4-dichlorophenyl)methyl]acetamide
CID 3460813

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[4-(4-phenylphenyl)phenyl]methyl]acetamide?
The IUPAC name of 2-chloro-N-[[4-(4-phenylphenyl)phenyl]methyl]acetamide (CID 146595387) is 2-chloro-N-[[4-(4-phenylphenyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[[4-(4-phenylphenyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-chloro-N-[[4-(4-phenylphenyl)phenyl]methyl]acetamide is O=C(CCl)NCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 2-chloro-N-[[4-(4-phenylphenyl)phenyl]methyl]acetamide?
The InChIKey is CLEGHTJGISFHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO/c22-14-21(24)23-15-16-6-8-18(9-7-16)20-12-10-19(11-13-20)17-4-2-1-3-5-17/h1-13H,14-15H2,(H,23,24).
What are the key properties of 2-chloro-N-[[4-(4-phenylphenyl)phenyl]methyl]acetamide?
2-chloro-N-[[4-(4-phenylphenyl)phenyl]methyl]acetamide has a molecular weight of 335.83 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[4-(4-phenylphenyl)phenyl]methyl]acetamide is sourced from PubChem (CID 146595387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).