2-(2,4-dichlorophenoxy)-N-[(6-nitro-1H-benzimidazol-2-yl)-phenylmethyl]acetamide

C22H16Cl2N4O4 — CID 43890127

IUPAC2-(2,4-dichlorophenoxy)-N-[(6-nitro-1H-benzimidazol-2-yl)-phenylmethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NC(c1ccccc1)c1nc2ccc([N+](=O)[O-])cc2[nH]1
InChIInChI=1S/C22H16Cl2N4O4/c23-14-6-9-19(16(24)10-14)32-12-20(29)27-21(13-4-2-1-3-5-13)22-25-17-8-7-15(28(30)31)11-18(17)26-22/h1-11,21H,12H2,(H,25,26)(H,27,29)
InChIKeyMZWGCSZLPUMQIV-UHFFFAOYSA-N
MW471.30 g/mol
LogP5.06
Rot. Bonds7

About 2-(2,4-dichlorophenoxy)-N-[(6-nitro-1H-benzimidazol-2-yl)-phenylmethyl]acetamide

2-(2,4-dichlorophenoxy)-N-[(6-nitro-1H-benzimidazol-2-yl)-phenylmethyl]acetamide (PubChem CID 43890127) has the molecular formula C22H16Cl2N4O4 and a molecular weight of 471.30 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[(6-nitro-1H-benzimidazol-2-yl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[(6-nitro-1H-benzimidazol-2-yl)-phenylmethyl]acetamide
PubChem CID43890127
Molecular FormulaC22H16Cl2N4O4
Molecular Weight471.30 g/mol
Exact Mass470.05
IUPAC Name2-(2,4-dichlorophenoxy)-N-[(6-nitro-1H-benzimidazol-2-yl)-phenylmethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NC(c1ccccc1)c1nc2ccc([N+](=O)[O-])cc2[nH]1
InChIInChI=1S/C22H16Cl2N4O4/c23-14-6-9-19(16(24)10-14)32-12-20(29)27-21(13-4-2-1-3-5-13)22-25-17-8-7-15(28(30)31)11-18(17)26-22/h1-11,21H,12H2,(H,25,26)(H,27,29)
InChIKeyMZWGCSZLPUMQIV-UHFFFAOYSA-N
XLogP5.06
TPSA110.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.30
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[(6-nitro-1H-benzimidazol-2-yl)-phenylmethyl]benzamide
CID 43890147
4-nitro-N-[(6-nitro-1H-benzimidazol-2-yl)-phenylmethyl]benzamide
CID 43890144
2-(2-chloro-4-nitrophenoxy)-N-[(1R)-1-(3-chlorophenyl)ethyl]acetamide
CID 7509267
2-(2,4-dichlorophenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide
CID 4126350
2-(2-chloro-4-nitrophenoxy)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 7866101
2-methoxy-N-[1-(6-nitro-1H-benzimidazol-2-yl)ethyl]acetamide
CID 43890057
2-(2-chloro-4-nitrophenoxy)-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide
CID 7866109
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7932009
2-(2-chloro-4-nitrophenoxy)-N-[(1S)-1-naphthalen-1-ylethyl]acetamide
CID 8587779
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7932010
2-(4-chloro-2-nitrophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 7991131
2-(2-chloro-4-nitrophenoxy)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 18192310

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(6-nitro-1H-benzimidazol-2-yl)-phenylmethyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(6-nitro-1H-benzimidazol-2-yl)-phenylmethyl]acetamide (CID 43890127) is 2-(2,4-dichlorophenoxy)-N-[(6-nitro-1H-benzimidazol-2-yl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[(6-nitro-1H-benzimidazol-2-yl)-phenylmethyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[(6-nitro-1H-benzimidazol-2-yl)-phenylmethyl]acetamide is O=C(COc1ccc(Cl)cc1Cl)NC(c1ccccc1)c1nc2ccc([N+](=O)[O-])cc2[nH]1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[(6-nitro-1H-benzimidazol-2-yl)-phenylmethyl]acetamide?
The InChIKey is MZWGCSZLPUMQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N4O4/c23-14-6-9-19(16(24)10-14)32-12-20(29)27-21(13-4-2-1-3-5-13)22-25-17-8-7-15(28(30)31)11-18(17)26-22/h1-11,21H,12H2,(H,25,26)(H,27,29).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[(6-nitro-1H-benzimidazol-2-yl)-phenylmethyl]acetamide?
2-(2,4-dichlorophenoxy)-N-[(6-nitro-1H-benzimidazol-2-yl)-phenylmethyl]acetamide has a molecular weight of 471.30 g/mol, XLogP of 5.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[(6-nitro-1H-benzimidazol-2-yl)-phenylmethyl]acetamide is sourced from PubChem (CID 43890127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).