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

C21H17Cl2NO2 — CID 54440703

IUPAC2-chloro-N-[3-chloro-2-(2-phenylmethoxyphenyl)phenyl]acetamide
SMILESO=C(CCl)Nc1cccc(Cl)c1-c1ccccc1OCc1ccccc1
InChIInChI=1S/C21H17Cl2NO2/c22-13-20(25)24-18-11-6-10-17(23)21(18)16-9-4-5-12-19(16)26-14-15-7-2-1-3-8-15/h1-12H,13-14H2,(H,24,25)
InChIKeyWNWSIPGZJJQPJT-UHFFFAOYSA-N
MW386.28 g/mol
LogP5.76
Rot. Bonds6

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

2-chloro-N-[3-chloro-2-(2-phenylmethoxyphenyl)phenyl]acetamide (PubChem CID 54440703) has the molecular formula C21H17Cl2NO2 and a molecular weight of 386.28 g/mol. Its IUPAC name is 2-chloro-N-[3-chloro-2-(2-phenylmethoxyphenyl)phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[3-chloro-2-(2-phenylmethoxyphenyl)phenyl]acetamide
PubChem CID54440703
Molecular FormulaC21H17Cl2NO2
Molecular Weight386.28 g/mol
Exact Mass385.06
IUPAC Name2-chloro-N-[3-chloro-2-(2-phenylmethoxyphenyl)phenyl]acetamide
SMILESO=C(CCl)Nc1cccc(Cl)c1-c1ccccc1OCc1ccccc1
InChIInChI=1S/C21H17Cl2NO2/c22-13-20(25)24-18-11-6-10-17(23)21(18)16-9-4-5-12-19(16)26-14-15-7-2-1-3-8-15/h1-12H,13-14H2,(H,24,25)
InChIKeyWNWSIPGZJJQPJT-UHFFFAOYSA-N
XLogP5.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.28
LogP ≤ 55.76
H-Bond Donors ≤ 51
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-phenylmethoxyphenyl)acetamide
CID 154832938
2-(2-chlorophenoxy)-N-(2-phenylmethoxyphenyl)acetamide
CID 17093502
N-(2-phenylmethoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide
CID 54816643
N-(2-chlorophenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]propanediamide
CID 3569452
2-chloro-N-(2-phenylphenyl)acetamide
CID 1129350
2-(ethylamino)-N-(2-phenylmethoxyphenyl)acetamide
CID 54820872
4-chloro-3-(2-phenylmethoxyphenyl)benzoic acid
CID 53228674
2-chloro-N-[4-[(2-chloroacetyl)amino]-9,10-dioxoanthracen-1-yl]acetamide
CID 14220963
2-[2-chloro-4-(2-phenylmethoxyphenyl)phenyl]acetic acid
CID 176516188
2-(2-chlorophenoxy)-N-[2-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]acetamide
CID 1032604
2-chloro-N-[2-(4-phenylphenyl)phenyl]acetamide
CID 175267400
2-chloro-N-[4-(phenoxymethyl)phenyl]acetamide
CID 82108856

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-chloro-2-(2-phenylmethoxyphenyl)phenyl]acetamide?
The IUPAC name of 2-chloro-N-[3-chloro-2-(2-phenylmethoxyphenyl)phenyl]acetamide (CID 54440703) is 2-chloro-N-[3-chloro-2-(2-phenylmethoxyphenyl)phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[3-chloro-2-(2-phenylmethoxyphenyl)phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[3-chloro-2-(2-phenylmethoxyphenyl)phenyl]acetamide is O=C(CCl)Nc1cccc(Cl)c1-c1ccccc1OCc1ccccc1.
What is the InChIKey of 2-chloro-N-[3-chloro-2-(2-phenylmethoxyphenyl)phenyl]acetamide?
The InChIKey is WNWSIPGZJJQPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2NO2/c22-13-20(25)24-18-11-6-10-17(23)21(18)16-9-4-5-12-19(16)26-14-15-7-2-1-3-8-15/h1-12H,13-14H2,(H,24,25).
What are the key properties of 2-chloro-N-[3-chloro-2-(2-phenylmethoxyphenyl)phenyl]acetamide?
2-chloro-N-[3-chloro-2-(2-phenylmethoxyphenyl)phenyl]acetamide has a molecular weight of 386.28 g/mol, XLogP of 5.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-chloro-2-(2-phenylmethoxyphenyl)phenyl]acetamide is sourced from PubChem (CID 54440703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).