1-(4-nitrophenyl)-N-(2-phenoxyphenyl)cyclopropane-1-carboxamide

C22H18N2O4 — CID 100789159

IUPAC1-(4-nitrophenyl)-N-(2-phenoxyphenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)C1(c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C22H18N2O4/c25-21(22(14-15-22)16-10-12-17(13-11-16)24(26)27)23-19-8-4-5-9-20(19)28-18-6-2-1-3-7-18/h1-13H,14-15H2,(H,23,25)
InChIKeyPRZQBZHLCAWKQS-UHFFFAOYSA-N
MW374.40 g/mol
LogP5.06
Rot. Bonds6

About 1-(4-nitrophenyl)-N-(2-phenoxyphenyl)cyclopropane-1-carboxamide

1-(4-nitrophenyl)-N-(2-phenoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 100789159) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is 1-(4-nitrophenyl)-N-(2-phenoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-nitrophenyl)-N-(2-phenoxyphenyl)cyclopropane-1-carboxamide
PubChem CID100789159
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC Name1-(4-nitrophenyl)-N-(2-phenoxyphenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)C1(c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C22H18N2O4/c25-21(22(14-15-22)16-10-12-17(13-11-16)24(26)27)23-19-8-4-5-9-20(19)28-18-6-2-1-3-7-18/h1-13H,14-15H2,(H,23,25)
InChIKeyPRZQBZHLCAWKQS-UHFFFAOYSA-N
XLogP5.06
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.40
LogP ≤ 55.06
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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Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrophenyl)-N-(2-phenoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-nitrophenyl)-N-(2-phenoxyphenyl)cyclopropane-1-carboxamide (CID 100789159) is 1-(4-nitrophenyl)-N-(2-phenoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-nitrophenyl)-N-(2-phenoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-nitrophenyl)-N-(2-phenoxyphenyl)cyclopropane-1-carboxamide is O=C(Nc1ccccc1Oc1ccccc1)C1(c2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of 1-(4-nitrophenyl)-N-(2-phenoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is PRZQBZHLCAWKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4/c25-21(22(14-15-22)16-10-12-17(13-11-16)24(26)27)23-19-8-4-5-9-20(19)28-18-6-2-1-3-7-18/h1-13H,14-15H2,(H,23,25).
What are the key properties of 1-(4-nitrophenyl)-N-(2-phenoxyphenyl)cyclopropane-1-carboxamide?
1-(4-nitrophenyl)-N-(2-phenoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrophenyl)-N-(2-phenoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 100789159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).