2-chloro-N-[3-phenyl-2-(2-phenylanilino)phenyl]acetamide

C26H21ClN2O — CID 150000965

IUPAC2-chloro-N-[3-phenyl-2-(2-phenylanilino)phenyl]acetamide
SMILESO=C(CCl)Nc1cccc(-c2ccccc2)c1Nc1ccccc1-c1ccccc1
InChIInChI=1S/C26H21ClN2O/c27-18-25(30)28-24-17-9-15-22(20-12-5-2-6-13-20)26(24)29-23-16-8-7-14-21(23)19-10-3-1-4-11-19/h1-17,29H,18H2,(H,28,30)
InChIKeyDBGXTPLWULCXKJ-UHFFFAOYSA-N
MW412.92 g/mol
LogP6.94
Rot. Bonds6

About 2-chloro-N-[3-phenyl-2-(2-phenylanilino)phenyl]acetamide

2-chloro-N-[3-phenyl-2-(2-phenylanilino)phenyl]acetamide (PubChem CID 150000965) has the molecular formula C26H21ClN2O and a molecular weight of 412.92 g/mol. Its IUPAC name is 2-chloro-N-[3-phenyl-2-(2-phenylanilino)phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[3-phenyl-2-(2-phenylanilino)phenyl]acetamide
PubChem CID150000965
Molecular FormulaC26H21ClN2O
Molecular Weight412.92 g/mol
Exact Mass412.13
IUPAC Name2-chloro-N-[3-phenyl-2-(2-phenylanilino)phenyl]acetamide
SMILESO=C(CCl)Nc1cccc(-c2ccccc2)c1Nc1ccccc1-c1ccccc1
InChIInChI=1S/C26H21ClN2O/c27-18-25(30)28-24-17-9-15-22(20-12-5-2-6-13-20)26(24)29-23-16-8-7-14-21(23)19-10-3-1-4-11-19/h1-17,29H,18H2,(H,28,30)
InChIKeyDBGXTPLWULCXKJ-UHFFFAOYSA-N
XLogP6.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.92
LogP ≤ 56.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2-phenylphenyl)acetamide
CID 1129350
2-chloro-N-[2-(4-phenylphenyl)phenyl]acetamide
CID 175267400
2-chloro-N-(2-fluoro-6-phenylphenyl)acetamide
CID 90081787
2,6-diphenyl-N-(2-phenylphenyl)aniline
CID 175811006
3-oxo-3-(2-phenylanilino)propanoic acid
CID 62230897
2-(2-chlorophenyl)-N-(2-phenylphenyl)acetamide
CID 26727185
N-[2-(tert-butylamino)-3-chlorophenyl]-2-chloroacetamide
CID 18630356
1-N,2-N-bis(2-phenylphenyl)benzene-1,2-diamine
CID 22968504
2-chloro-N-[4-[(2-chloroacetyl)amino]-9,10-dioxoanthracen-1-yl]acetamide
CID 14220963
N-(1,4-benzodioxin-5-yl)-2-chloroacetamide
CID 91313181
2-(benzhydrylamino)-N-(2-phenylphenyl)acetamide;hydrochloride
CID 68964079
3-methyl-N,N'-bis(2-phenylphenyl)hexanediamide
CID 112830357

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-phenyl-2-(2-phenylanilino)phenyl]acetamide?
The IUPAC name of 2-chloro-N-[3-phenyl-2-(2-phenylanilino)phenyl]acetamide (CID 150000965) is 2-chloro-N-[3-phenyl-2-(2-phenylanilino)phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[3-phenyl-2-(2-phenylanilino)phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[3-phenyl-2-(2-phenylanilino)phenyl]acetamide is O=C(CCl)Nc1cccc(-c2ccccc2)c1Nc1ccccc1-c1ccccc1.
What is the InChIKey of 2-chloro-N-[3-phenyl-2-(2-phenylanilino)phenyl]acetamide?
The InChIKey is DBGXTPLWULCXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN2O/c27-18-25(30)28-24-17-9-15-22(20-12-5-2-6-13-20)26(24)29-23-16-8-7-14-21(23)19-10-3-1-4-11-19/h1-17,29H,18H2,(H,28,30).
What are the key properties of 2-chloro-N-[3-phenyl-2-(2-phenylanilino)phenyl]acetamide?
2-chloro-N-[3-phenyl-2-(2-phenylanilino)phenyl]acetamide has a molecular weight of 412.92 g/mol, XLogP of 6.94, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-phenyl-2-(2-phenylanilino)phenyl]acetamide is sourced from PubChem (CID 150000965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).