N-(2-methyl-3-nitrophenyl)-4-phenylmethoxybenzamide

C21H18N2O4 — CID 9395656

IUPACN-(2-methyl-3-nitrophenyl)-4-phenylmethoxybenzamide
SMILESCc1c(NC(=O)c2ccc(OCc3ccccc3)cc2)cccc1[N+](=O)[O-]
InChIInChI=1S/C21H18N2O4/c1-15-19(8-5-9-20(15)23(25)26)22-21(24)17-10-12-18(13-11-17)27-14-16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,22,24)
InChIKeyCRBDBXBFULLJSI-UHFFFAOYSA-N
MW362.39 g/mol
LogP4.73
Rot. Bonds6

About N-(2-methyl-3-nitrophenyl)-4-phenylmethoxybenzamide

N-(2-methyl-3-nitrophenyl)-4-phenylmethoxybenzamide (PubChem CID 9395656) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-(2-methyl-3-nitrophenyl)-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-(2-methyl-3-nitrophenyl)-4-phenylmethoxybenzamide
PubChem CID9395656
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC NameN-(2-methyl-3-nitrophenyl)-4-phenylmethoxybenzamide
SMILESCc1c(NC(=O)c2ccc(OCc3ccccc3)cc2)cccc1[N+](=O)[O-]
InChIInChI=1S/C21H18N2O4/c1-15-19(8-5-9-20(15)23(25)26)22-21(24)17-10-12-18(13-11-17)27-14-16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,22,24)
InChIKeyCRBDBXBFULLJSI-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-[(2-methyl-3-nitrophenyl)carbamothioyl]-4-phenylmethoxybenzamide
CID 22777618
N-(2-methyl-3-nitrophenyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 26737793
4-(3-methylbutoxy)-N-(2-methyl-3-nitrophenyl)benzamide
CID 4948152
4-(2-ethoxyethoxy)-N-(2-methyl-3-nitrophenyl)benzamide
CID 17112581
4-(aminomethyl)-N-(2-methyl-3-nitrophenyl)benzamide
CID 43708480
N,2-dimethyl-3-[(4-phenylmethoxybenzoyl)amino]benzamide
CID 46434092
N-(2-nitrophenyl)-3-phenylmethoxybenzamide
CID 23854961
N-(2-methyl-4-nitrophenyl)-4-phenylmethoxybenzamide
CID 2916153
N-(2,3-dimethylphenyl)-4-(phenoxymethyl)benzamide
CID 7946940
4-ethoxy-N-[(2-methyl-3-nitrophenyl)carbamothioyl]benzamide
CID 4948861
4-(ethylsulfanylmethyl)-N-(2-methyl-3-nitrophenyl)benzamide
CID 60528428
N-(2-chlorophenyl)-4-phenylmethoxybenzamide
CID 1121131

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-nitrophenyl)-4-phenylmethoxybenzamide?
The IUPAC name of N-(2-methyl-3-nitrophenyl)-4-phenylmethoxybenzamide (CID 9395656) is N-(2-methyl-3-nitrophenyl)-4-phenylmethoxybenzamide.
What is the SMILES notation for N-(2-methyl-3-nitrophenyl)-4-phenylmethoxybenzamide?
The canonical SMILES for N-(2-methyl-3-nitrophenyl)-4-phenylmethoxybenzamide is Cc1c(NC(=O)c2ccc(OCc3ccccc3)cc2)cccc1[N+](=O)[O-].
What is the InChIKey of N-(2-methyl-3-nitrophenyl)-4-phenylmethoxybenzamide?
The InChIKey is CRBDBXBFULLJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-15-19(8-5-9-20(15)23(25)26)22-21(24)17-10-12-18(13-11-17)27-14-16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,22,24).
What are the key properties of N-(2-methyl-3-nitrophenyl)-4-phenylmethoxybenzamide?
N-(2-methyl-3-nitrophenyl)-4-phenylmethoxybenzamide 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-(2-methyl-3-nitrophenyl)-4-phenylmethoxybenzamide is sourced from PubChem (CID 9395656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).