N-(4-methyl-2-phenylmethoxyphenyl)-4-nitrobenzamide

C21H18N2O4 — CID 22010922

IUPACN-(4-methyl-2-phenylmethoxyphenyl)-4-nitrobenzamide
SMILESCc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(OCc2ccccc2)c1
InChIInChI=1S/C21H18N2O4/c1-15-7-12-19(20(13-15)27-14-16-5-3-2-4-6-16)22-21(24)17-8-10-18(11-9-17)23(25)26/h2-13H,14H2,1H3,(H,22,24)
InChIKeyLRRFJMFMOFSMTA-UHFFFAOYSA-N
MW362.39 g/mol
LogP4.73
Rot. Bonds6

About N-(4-methyl-2-phenylmethoxyphenyl)-4-nitrobenzamide

N-(4-methyl-2-phenylmethoxyphenyl)-4-nitrobenzamide (PubChem CID 22010922) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-(4-methyl-2-phenylmethoxyphenyl)-4-nitrobenzamide.

Molecular Properties

Compound NameN-(4-methyl-2-phenylmethoxyphenyl)-4-nitrobenzamide
PubChem CID22010922
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC NameN-(4-methyl-2-phenylmethoxyphenyl)-4-nitrobenzamide
SMILESCc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(OCc2ccccc2)c1
InChIInChI=1S/C21H18N2O4/c1-15-7-12-19(20(13-15)27-14-16-5-3-2-4-6-16)22-21(24)17-8-10-18(11-9-17)23(25)26/h2-13H,14H2,1H3,(H,22,24)
InChIKeyLRRFJMFMOFSMTA-UHFFFAOYSA-N
XLogP4.73
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-nitro-2-phenylmethoxyphenyl)naphthalene-2-carboxamide
CID 24807044
N-(2-methyl-4-nitrophenyl)-4-phenylmethoxybenzamide
CID 2916153
N-(4-methyl-2-phenylmethoxyphenyl)acetamide
CID 47311961
4-[(5-methyl-2-nitrophenoxy)methyl]-N-phenylbenzamide
CID 42018969
N-[2-[2-(3-methylphenyl)acetyl]phenyl]-4-nitrobenzamide
CID 158380804
N-(4-benzamido-3-phenylmethoxyphenyl)benzamide
CID 5314877
2,5-dichloro-N-(4-methyl-2-phenylmethoxyphenyl)thiophene-3-carboxamide
CID 55888940
N-(4-methyl-2-nitrophenyl)-4-[(3-methylphenoxy)methyl]benzamide
CID 126188400
3-bromo-N-(2,4-dimethylphenyl)-4-phenylmethoxybenzamide
CID 54793446
1-[4-methyl-2-[(4-nitrophenyl)methoxy]phenyl]ethanone
CID 60701241
ethyl 4-(2-benzamido-5-nitrophenoxy)butanoate
CID 89048060
2-(2-methoxyethylamino)-N-(4-methyl-2-phenylmethoxyphenyl)acetamide
CID 119726802

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-phenylmethoxyphenyl)-4-nitrobenzamide?
The IUPAC name of N-(4-methyl-2-phenylmethoxyphenyl)-4-nitrobenzamide (CID 22010922) is N-(4-methyl-2-phenylmethoxyphenyl)-4-nitrobenzamide.
What is the SMILES notation for N-(4-methyl-2-phenylmethoxyphenyl)-4-nitrobenzamide?
The canonical SMILES for N-(4-methyl-2-phenylmethoxyphenyl)-4-nitrobenzamide is Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(OCc2ccccc2)c1.
What is the InChIKey of N-(4-methyl-2-phenylmethoxyphenyl)-4-nitrobenzamide?
The InChIKey is LRRFJMFMOFSMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-15-7-12-19(20(13-15)27-14-16-5-3-2-4-6-16)22-21(24)17-8-10-18(11-9-17)23(25)26/h2-13H,14H2,1H3,(H,22,24).
What are the key properties of N-(4-methyl-2-phenylmethoxyphenyl)-4-nitrobenzamide?
N-(4-methyl-2-phenylmethoxyphenyl)-4-nitrobenzamide has a molecular weight of 362.39 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-phenylmethoxyphenyl)-4-nitrobenzamide is sourced from PubChem (CID 22010922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).