N-[3-(2-methylphenoxy)-5-nitrophenyl]formamide

C14H12N2O4 — CID 168652947

IUPACN-[3-(2-methylphenoxy)-5-nitrophenyl]formamide
SMILESCc1ccccc1Oc1cc(NC=O)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H12N2O4/c1-10-4-2-3-5-14(10)20-13-7-11(15-9-17)6-12(8-13)16(18)19/h2-9H,1H3,(H,15,17)
InChIKeyADMOCVSYHKIWAF-UHFFFAOYSA-N
MW272.26 g/mol
LogP3.26
Rot. Bonds5

About N-[3-(2-methylphenoxy)-5-nitrophenyl]formamide

N-[3-(2-methylphenoxy)-5-nitrophenyl]formamide (PubChem CID 168652947) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is N-[3-(2-methylphenoxy)-5-nitrophenyl]formamide.

Molecular Properties

Compound NameN-[3-(2-methylphenoxy)-5-nitrophenyl]formamide
PubChem CID168652947
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC NameN-[3-(2-methylphenoxy)-5-nitrophenyl]formamide
SMILESCc1ccccc1Oc1cc(NC=O)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H12N2O4/c1-10-4-2-3-5-14(10)20-13-7-11(15-9-17)6-12(8-13)16(18)19/h2-9H,1H3,(H,15,17)
InChIKeyADMOCVSYHKIWAF-UHFFFAOYSA-N
XLogP3.26
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(5-methyl-3-nitropyrazol-1-yl)-N-[3-(2-methylphenoxy)-5-nitrophenyl]acetamide
CID 19521318
2,5-dimethyl-N-[3-(2-methylphenoxy)-5-nitrophenyl]pyrazole-3-carboxamide
CID 19481322
N-[3-(2-methylphenoxy)-5-nitrophenyl]-2-(4-nitropyrazol-1-yl)propanamide
CID 19528845
N-[3-(2-methylphenoxy)-5-nitrophenyl]-4-nitro-1H-pyrazole-5-carboxamide
CID 19479609
1-methyl-2-(2-methylphenoxy)-4-nitrobenzene
CID 141213326
N-[3-(2-methylphenoxy)-5-nitrophenyl]-3-(5-methylpyrazol-1-yl)propanamide
CID 19569914
2-(3-methoxy-4-nitropyrazol-1-yl)-N-[3-(2-methylphenoxy)-5-nitrophenyl]acetamide
CID 19516294
N-methyl-3-nitro-5-(2-propan-2-ylphenoxy)aniline
CID 80874041
[3-nitro-5-[2-[(E)-prop-1-enyl]phenoxy]phenyl]hydrazine
CID 80906532
3-(4-chlorophenyl)-N-[3-(2-methylphenoxy)-5-nitrophenyl]-1H-pyrazole-5-carboxamide
CID 19509442
3-(5-methyl-3-nitropyrazol-1-yl)-N-[3-(2-methylphenoxy)-5-nitrophenyl]propanamide
CID 19541820
1-methyl-4-[[3-(2-methylphenoxy)-5-nitrophenyl]carbamoyl]pyrazole-3-carboxylic acid
CID 19498633

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylphenoxy)-5-nitrophenyl]formamide?
The IUPAC name of N-[3-(2-methylphenoxy)-5-nitrophenyl]formamide (CID 168652947) is N-[3-(2-methylphenoxy)-5-nitrophenyl]formamide.
What is the SMILES notation for N-[3-(2-methylphenoxy)-5-nitrophenyl]formamide?
The canonical SMILES for N-[3-(2-methylphenoxy)-5-nitrophenyl]formamide is Cc1ccccc1Oc1cc(NC=O)cc([N+](=O)[O-])c1.
What is the InChIKey of N-[3-(2-methylphenoxy)-5-nitrophenyl]formamide?
The InChIKey is ADMOCVSYHKIWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-10-4-2-3-5-14(10)20-13-7-11(15-9-17)6-12(8-13)16(18)19/h2-9H,1H3,(H,15,17).
What are the key properties of N-[3-(2-methylphenoxy)-5-nitrophenyl]formamide?
N-[3-(2-methylphenoxy)-5-nitrophenyl]formamide has a molecular weight of 272.26 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylphenoxy)-5-nitrophenyl]formamide is sourced from PubChem (CID 168652947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).