N-(2,4-difluorophenyl)-5-methoxy-2-nitro-4-phenylmethoxybenzamide

C21H16F2N2O5 — CID 139213690

IUPACN-(2,4-difluorophenyl)-5-methoxy-2-nitro-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(F)cc2F)c([N+](=O)[O-])cc1OCc1ccccc1
InChIInChI=1S/C21H16F2N2O5/c1-29-19-10-15(21(26)24-17-8-7-14(22)9-16(17)23)18(25(27)28)11-20(19)30-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,24,26)
InChIKeyAYNHQKMZOSJJNW-UHFFFAOYSA-N
MW414.36 g/mol
LogP4.71
Rot. Bonds7

About N-(2,4-difluorophenyl)-5-methoxy-2-nitro-4-phenylmethoxybenzamide

N-(2,4-difluorophenyl)-5-methoxy-2-nitro-4-phenylmethoxybenzamide (PubChem CID 139213690) has the molecular formula C21H16F2N2O5 and a molecular weight of 414.36 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-5-methoxy-2-nitro-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-5-methoxy-2-nitro-4-phenylmethoxybenzamide
PubChem CID139213690
Molecular FormulaC21H16F2N2O5
Molecular Weight414.36 g/mol
Exact Mass414.10
IUPAC NameN-(2,4-difluorophenyl)-5-methoxy-2-nitro-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(F)cc2F)c([N+](=O)[O-])cc1OCc1ccccc1
InChIInChI=1S/C21H16F2N2O5/c1-29-19-10-15(21(26)24-17-8-7-14(22)9-16(17)23)18(25(27)28)11-20(19)30-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,24,26)
InChIKeyAYNHQKMZOSJJNW-UHFFFAOYSA-N
XLogP4.71
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.36
LogP ≤ 54.71
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-5-methoxy-2-nitro-4-phenylmethoxybenzamide?
The IUPAC name of N-(2,4-difluorophenyl)-5-methoxy-2-nitro-4-phenylmethoxybenzamide (CID 139213690) is N-(2,4-difluorophenyl)-5-methoxy-2-nitro-4-phenylmethoxybenzamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-5-methoxy-2-nitro-4-phenylmethoxybenzamide?
The canonical SMILES for N-(2,4-difluorophenyl)-5-methoxy-2-nitro-4-phenylmethoxybenzamide is COc1cc(C(=O)Nc2ccc(F)cc2F)c([N+](=O)[O-])cc1OCc1ccccc1.
What is the InChIKey of N-(2,4-difluorophenyl)-5-methoxy-2-nitro-4-phenylmethoxybenzamide?
The InChIKey is AYNHQKMZOSJJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N2O5/c1-29-19-10-15(21(26)24-17-8-7-14(22)9-16(17)23)18(25(27)28)11-20(19)30-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,24,26).
What are the key properties of N-(2,4-difluorophenyl)-5-methoxy-2-nitro-4-phenylmethoxybenzamide?
N-(2,4-difluorophenyl)-5-methoxy-2-nitro-4-phenylmethoxybenzamide has a molecular weight of 414.36 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-5-methoxy-2-nitro-4-phenylmethoxybenzamide is sourced from PubChem (CID 139213690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).