N-(2-chloro-4-nitrophenyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide

C21H16Cl2N2O5 — CID 2896964

IUPACN-(2-chloro-4-nitrophenyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C21H16Cl2N2O5/c1-29-20-10-14(4-9-19(20)30-12-13-2-5-15(22)6-3-13)21(26)24-18-8-7-16(25(27)28)11-17(18)23/h2-11H,12H2,1H3,(H,24,26)
InChIKeyGEECZJGBFSATFZ-UHFFFAOYSA-N
MW447.27 g/mol
LogP5.74
Rot. Bonds7

About N-(2-chloro-4-nitrophenyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide

N-(2-chloro-4-nitrophenyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide (PubChem CID 2896964) has the molecular formula C21H16Cl2N2O5 and a molecular weight of 447.27 g/mol. Its IUPAC name is N-(2-chloro-4-nitrophenyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide.

Molecular Properties

Compound NameN-(2-chloro-4-nitrophenyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
PubChem CID2896964
Molecular FormulaC21H16Cl2N2O5
Molecular Weight447.27 g/mol
Exact Mass446.04
IUPAC NameN-(2-chloro-4-nitrophenyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C21H16Cl2N2O5/c1-29-20-10-14(4-9-19(20)30-12-13-2-5-15(22)6-3-13)21(26)24-18-8-7-16(25(27)28)11-17(18)23/h2-11H,12H2,1H3,(H,24,26)
InChIKeyGEECZJGBFSATFZ-UHFFFAOYSA-N
XLogP5.74
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.27
LogP ≤ 55.74
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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Related Compounds

3-chloro-4-methoxy-N-(2-methoxy-4-nitrophenyl)benzamide
CID 2915297
N-(2,4-dichlorophenyl)-4-methoxy-3-nitrobenzamide
CID 711542
2-chloro-1-[(4-chlorophenyl)methoxy]-4-nitrobenzene
CID 66921922
methyl 2-[(4-chlorophenyl)methoxy]-5-nitrobenzoate
CID 91681746
4-[(2-chloro-4-nitrophenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)benzamide
CID 19394358
4-[(4-chlorophenyl)methoxy]-N-[4-(cyanomethyl)phenyl]-3-methoxybenzamide
CID 60599216
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(2-oxopropyl)benzamide
CID 158622602
4-butoxy-3-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide
CID 2213710
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-pyridin-2-ylbenzamide
CID 43016736
N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-[(2-chloro-4-nitrophenoxy)methyl]benzamide
CID 19407311
4-butoxy-N-(2,4-dichlorophenyl)-3-methoxybenzamide
CID 26115429
N'-(2-chlorobenzoyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzohydrazide
CID 35929028

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-nitrophenyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide?
The IUPAC name of N-(2-chloro-4-nitrophenyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide (CID 2896964) is N-(2-chloro-4-nitrophenyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide.
What is the SMILES notation for N-(2-chloro-4-nitrophenyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide?
The canonical SMILES for N-(2-chloro-4-nitrophenyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide is COc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1OCc1ccc(Cl)cc1.
What is the InChIKey of N-(2-chloro-4-nitrophenyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide?
The InChIKey is GEECZJGBFSATFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N2O5/c1-29-20-10-14(4-9-19(20)30-12-13-2-5-15(22)6-3-13)21(26)24-18-8-7-16(25(27)28)11-17(18)23/h2-11H,12H2,1H3,(H,24,26).
What are the key properties of N-(2-chloro-4-nitrophenyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide?
N-(2-chloro-4-nitrophenyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide has a molecular weight of 447.27 g/mol, XLogP of 5.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-nitrophenyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide is sourced from PubChem (CID 2896964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).