N-[(2-nitrophenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide

C23H19N3O3 — CID 3093090

IUPACN-[(2-nitrophenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
SMILESO=C(NN=Cc1ccccc1[N+](=O)[O-])C1CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H19N3O3/c27-22(25-24-16-17-9-7-8-14-21(17)26(28)29)20-15-23(20,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-14,16,20H,15H2,(H,25,27)
InChIKeyPKWGFZMXQBSFQZ-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.05
Rot. Bonds6

About N-[(2-nitrophenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide

N-[(2-nitrophenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide (PubChem CID 3093090) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-[(2-nitrophenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(2-nitrophenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
PubChem CID3093090
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC NameN-[(2-nitrophenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
SMILESO=C(NN=Cc1ccccc1[N+](=O)[O-])C1CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H19N3O3/c27-22(25-24-16-17-9-7-8-14-21(17)26(28)29)20-15-23(20,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-14,16,20H,15H2,(H,25,27)
InChIKeyPKWGFZMXQBSFQZ-UHFFFAOYSA-N
XLogP4.05
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

2,2-bis(4-methylphenyl)-N-[(2-nitrophenyl)methylideneamino]cyclopropane-1-carboxamide
CID 4611219
(1S)-N-(2-nitrophenyl)-2,2-diphenylcyclopropane-1-carboxamide
CID 7070939
cis-(1R,2S)-N-[(Z)-(2-nitrophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 6975322
trans-(1S,2S)-N-[(2-nitrophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 1237032
(1R,6R)-N-[(2-nitrophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 129431796
(1R)-N-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 135827827
N-[(E)-(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 135478376
(1R)-N-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 135796336
(1S)-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 136786083
(1R)-N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 5456388
2,2-diphenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]cyclopropane-1-carboxamide
CID 162669964
[(2-nitrophenyl)methylideneamino](13C)urea
CID 57370038

Frequently Asked Questions

What is the IUPAC name of N-[(2-nitrophenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide?
The IUPAC name of N-[(2-nitrophenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide (CID 3093090) is N-[(2-nitrophenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(2-nitrophenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(2-nitrophenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide is O=C(NN=Cc1ccccc1[N+](=O)[O-])C1CC1(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(2-nitrophenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide?
The InChIKey is PKWGFZMXQBSFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c27-22(25-24-16-17-9-7-8-14-21(17)26(28)29)20-15-23(20,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-14,16,20H,15H2,(H,25,27).
What are the key properties of N-[(2-nitrophenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide?
N-[(2-nitrophenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-nitrophenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide is sourced from PubChem (CID 3093090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).