N-[5-chloro-2-[(3-methoxyphenyl)methoxy]phenyl]-4-methoxy-3-nitrobenzamide

C22H19ClN2O6 — CID 132816125

IUPACN-[5-chloro-2-[(3-methoxyphenyl)methoxy]phenyl]-4-methoxy-3-nitrobenzamide
SMILESCOc1cccc(COc2ccc(Cl)cc2NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C22H19ClN2O6/c1-29-17-5-3-4-14(10-17)13-31-20-9-7-16(23)12-18(20)24-22(26)15-6-8-21(30-2)19(11-15)25(27)28/h3-12H,13H2,1-2H3,(H,24,26)
InChIKeyGXDPIBMAVDINFP-UHFFFAOYSA-N
MW442.86 g/mol
LogP5.10
Rot. Bonds8

About N-[5-chloro-2-[(3-methoxyphenyl)methoxy]phenyl]-4-methoxy-3-nitrobenzamide

N-[5-chloro-2-[(3-methoxyphenyl)methoxy]phenyl]-4-methoxy-3-nitrobenzamide (PubChem CID 132816125) has the molecular formula C22H19ClN2O6 and a molecular weight of 442.86 g/mol. Its IUPAC name is N-[5-chloro-2-[(3-methoxyphenyl)methoxy]phenyl]-4-methoxy-3-nitrobenzamide.

Molecular Properties

Compound NameN-[5-chloro-2-[(3-methoxyphenyl)methoxy]phenyl]-4-methoxy-3-nitrobenzamide
PubChem CID132816125
Molecular FormulaC22H19ClN2O6
Molecular Weight442.86 g/mol
Exact Mass442.09
IUPAC NameN-[5-chloro-2-[(3-methoxyphenyl)methoxy]phenyl]-4-methoxy-3-nitrobenzamide
SMILESCOc1cccc(COc2ccc(Cl)cc2NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C22H19ClN2O6/c1-29-17-5-3-4-14(10-17)13-31-20-9-7-16(23)12-18(20)24-22(26)15-6-8-21(30-2)19(11-15)25(27)28/h3-12H,13H2,1-2H3,(H,24,26)
InChIKeyGXDPIBMAVDINFP-UHFFFAOYSA-N
XLogP5.10
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.86
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-(5-chloro-2-methylphenyl)-4-methoxy-3-nitrobenzamide
CID 2268452
4-methoxy-N-[(3-methoxyphenyl)methyl]-3-nitrobenzamide
CID 7749788
N-(2,4-dichlorophenyl)-4-methoxy-3-nitrobenzamide
CID 711542
N-(2-ethoxyphenyl)-4-methoxy-3-nitrobenzamide
CID 711588
N-[2-(3-chlorophenyl)ethyl]-4-methoxy-3-nitrobenzamide
CID 27838571
N-(3-chloro-2-fluorophenyl)-4-methoxy-3-nitrobenzamide
CID 51145763
[4-[(3-methoxyphenyl)methoxy]-3-nitrophenyl]methanol
CID 28963761
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(3-methoxyphenyl)benzamide
CID 4614010
N-(2-acetylphenyl)-4-methoxy-3-nitrobenzamide
CID 7948545
2-(3-chlorophenyl)-1-(4-methoxy-3-nitrophenyl)ethanone
CID 62505653
4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-(2-methylphenyl)benzamide
CID 7946667
N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-3-fluoro-4-methoxybenzamide
CID 100614872

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[(3-methoxyphenyl)methoxy]phenyl]-4-methoxy-3-nitrobenzamide?
The IUPAC name of N-[5-chloro-2-[(3-methoxyphenyl)methoxy]phenyl]-4-methoxy-3-nitrobenzamide (CID 132816125) is N-[5-chloro-2-[(3-methoxyphenyl)methoxy]phenyl]-4-methoxy-3-nitrobenzamide.
What is the SMILES notation for N-[5-chloro-2-[(3-methoxyphenyl)methoxy]phenyl]-4-methoxy-3-nitrobenzamide?
The canonical SMILES for N-[5-chloro-2-[(3-methoxyphenyl)methoxy]phenyl]-4-methoxy-3-nitrobenzamide is COc1cccc(COc2ccc(Cl)cc2NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1.
What is the InChIKey of N-[5-chloro-2-[(3-methoxyphenyl)methoxy]phenyl]-4-methoxy-3-nitrobenzamide?
The InChIKey is GXDPIBMAVDINFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O6/c1-29-17-5-3-4-14(10-17)13-31-20-9-7-16(23)12-18(20)24-22(26)15-6-8-21(30-2)19(11-15)25(27)28/h3-12H,13H2,1-2H3,(H,24,26).
What are the key properties of N-[5-chloro-2-[(3-methoxyphenyl)methoxy]phenyl]-4-methoxy-3-nitrobenzamide?
N-[5-chloro-2-[(3-methoxyphenyl)methoxy]phenyl]-4-methoxy-3-nitrobenzamide has a molecular weight of 442.86 g/mol, XLogP of 5.10, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-[(3-methoxyphenyl)methoxy]phenyl]-4-methoxy-3-nitrobenzamide is sourced from PubChem (CID 132816125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).