N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(4-nitrophenoxy)acetamide

C19H16N4O5 — CID 31934343

IUPACN-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(4-nitrophenoxy)acetamide
SMILESCn1ccnc1C(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C19H16N4O5/c1-22-11-10-20-19(22)18(25)13-2-4-14(5-3-13)21-17(24)12-28-16-8-6-15(7-9-16)23(26)27/h2-11H,12H2,1H3,(H,21,24)
InChIKeyBJWCFYJNCFKJPI-UHFFFAOYSA-N
MW380.36 g/mol
LogP2.58
Rot. Bonds7

About N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(4-nitrophenoxy)acetamide

N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(4-nitrophenoxy)acetamide (PubChem CID 31934343) has the molecular formula C19H16N4O5 and a molecular weight of 380.36 g/mol. Its IUPAC name is N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(4-nitrophenoxy)acetamide
PubChem CID31934343
Molecular FormulaC19H16N4O5
Molecular Weight380.36 g/mol
Exact Mass380.11
IUPAC NameN-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(4-nitrophenoxy)acetamide
SMILESCn1ccnc1C(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C19H16N4O5/c1-22-11-10-20-19(22)18(25)13-2-4-14(5-3-13)21-17(24)12-28-16-8-6-15(7-9-16)23(26)27/h2-11H,12H2,1H3,(H,21,24)
InChIKeyBJWCFYJNCFKJPI-UHFFFAOYSA-N
XLogP2.58
TPSA116.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(1-methylimidazole-2-carbonyl)phenyl]-2-(4-nitrophenyl)acetamide
CID 31933905
2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442
4-[2-(4-nitroanilino)-2-oxoethoxy]-N-(4-nitrophenyl)benzamide
CID 10646566
N-(4-nitrophenyl)-2-(4-propanoylphenoxy)acetamide
CID 9395370
N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 17204846
propyl 4-[[2-(4-nitrophenoxy)acetyl]amino]benzoate
CID 4501659
2-(4-nitrophenoxy)-N-phenylacetamide
CID 923397
2-(3,4-dimethylphenoxy)-N-(4-nitrophenyl)acetamide
CID 4930992
2-methyl-N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 1295054
N-[(4-nitrophenyl)carbamoyl]-2-[4-[2-[(4-nitrophenyl)carbamoylamino]-2-oxoethoxy]phenoxy]acetamide
CID 11981942
N-[4-(dimethylsulfamoyl)phenyl]-2-(4-nitrophenoxy)acetamide
CID 1416689
N-[4-(cyanomethyl)phenyl]-2-(4-nitrophenoxy)acetamide
CID 674702

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(4-nitrophenoxy)acetamide (CID 31934343) is N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(4-nitrophenoxy)acetamide is Cn1ccnc1C(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(4-nitrophenoxy)acetamide?
The InChIKey is BJWCFYJNCFKJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O5/c1-22-11-10-20-19(22)18(25)13-2-4-14(5-3-13)21-17(24)12-28-16-8-6-15(7-9-16)23(26)27/h2-11H,12H2,1H3,(H,21,24).
What are the key properties of N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(4-nitrophenoxy)acetamide?
N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(4-nitrophenoxy)acetamide has a molecular weight of 380.36 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 31934343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).