(1S)-N-(2-nitrophenyl)-2,2-diphenylcyclopropane-1-carboxamide

C22H18N2O3 — CID 7070939

IUPAC(1S)-N-(2-nitrophenyl)-2,2-diphenylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccccc1[N+](=O)[O-])[C@H]1CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18N2O3/c25-21(23-19-13-7-8-14-20(19)24(26)27)18-15-22(18,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,18H,15H2,(H,23,25)/t18-/m1/s1
InChIKeyZEBJHFCREQHAHI-GOSISDBHSA-N
MW358.40 g/mol
LogP4.54
Rot. Bonds5

About (1S)-N-(2-nitrophenyl)-2,2-diphenylcyclopropane-1-carboxamide

(1S)-N-(2-nitrophenyl)-2,2-diphenylcyclopropane-1-carboxamide (PubChem CID 7070939) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is (1S)-N-(2-nitrophenyl)-2,2-diphenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-(2-nitrophenyl)-2,2-diphenylcyclopropane-1-carboxamide
PubChem CID7070939
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC Name(1S)-N-(2-nitrophenyl)-2,2-diphenylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccccc1[N+](=O)[O-])[C@H]1CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18N2O3/c25-21(23-19-13-7-8-14-20(19)24(26)27)18-15-22(18,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,18H,15H2,(H,23,25)/t18-/m1/s1
InChIKeyZEBJHFCREQHAHI-GOSISDBHSA-N
XLogP4.54
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-nitrophenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 3093090
N-(2-nitrophenyl)-1-phenylcyclopentane-1-carboxamide
CID 2877363
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
N-(2-nitrophenyl)oxolane-2-carboxamide
CID 5093204
(1S,5S)-N-(2-nitrophenyl)-7-phenylbicyclo[3.1.1]heptane-6-carboxamide
CID 7375073
1-(2-nitrophenyl)-3-phenylurea
CID 4109613
2,2-bis(4-methylphenyl)-N-[(2-nitrophenyl)methylideneamino]cyclopropane-1-carboxamide
CID 4611219
N-(2-nitrophenyl)-6-oxopiperidine-3-carboxamide
CID 76872950
N-naphthalen-2-yl-2,2-diphenylcyclopropane-1-carboxamide
CID 3098363
(2R,3S)-2-methyl-N-(2-nitrophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7379074
N-(2-nitrophenyl)thiohydroxylamine
CID 59024861
N-(2-methyl-3-nitrophenyl)-1-phenylcyclopropane-1-carboxamide
CID 43025525

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(2-nitrophenyl)-2,2-diphenylcyclopropane-1-carboxamide?
The IUPAC name of (1S)-N-(2-nitrophenyl)-2,2-diphenylcyclopropane-1-carboxamide (CID 7070939) is (1S)-N-(2-nitrophenyl)-2,2-diphenylcyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-N-(2-nitrophenyl)-2,2-diphenylcyclopropane-1-carboxamide?
The canonical SMILES for (1S)-N-(2-nitrophenyl)-2,2-diphenylcyclopropane-1-carboxamide is O=C(Nc1ccccc1[N+](=O)[O-])[C@H]1CC1(c1ccccc1)c1ccccc1.
What is the InChIKey of (1S)-N-(2-nitrophenyl)-2,2-diphenylcyclopropane-1-carboxamide?
The InChIKey is ZEBJHFCREQHAHI-GOSISDBHSA-N. The full InChI is InChI=1S/C22H18N2O3/c25-21(23-19-13-7-8-14-20(19)24(26)27)18-15-22(18,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,18H,15H2,(H,23,25)/t18-/m1/s1.
What are the key properties of (1S)-N-(2-nitrophenyl)-2,2-diphenylcyclopropane-1-carboxamide?
(1S)-N-(2-nitrophenyl)-2,2-diphenylcyclopropane-1-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(2-nitrophenyl)-2,2-diphenylcyclopropane-1-carboxamide is sourced from PubChem (CID 7070939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).