trans-(1R,2R)-N-(2-methoxy-4-nitrophenyl)-2-phenylcyclopropane-1-carboxamide

C17H16N2O4 — CID 7409539

IUPACtrans-(1R,2R)-N-(2-methoxy-4-nitrophenyl)-2-phenylcyclopropane-1-carboxamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C17H16N2O4/c1-23-16-9-12(19(21)22)7-8-15(16)18-17(20)14-10-13(14)11-5-3-2-4-6-11/h2-9,13-14H,10H2,1H3,(H,18,20)/t13-,14+/m0/s1
InChIKeyXHUBXRIZJCFAQX-UONOGXRCSA-N
MW312.33 g/mol
LogP3.35
Rot. Bonds5

About trans-(1R,2R)-N-(2-methoxy-4-nitrophenyl)-2-phenylcyclopropane-1-carboxamide

trans-(1R,2R)-N-(2-methoxy-4-nitrophenyl)-2-phenylcyclopropane-1-carboxamide (PubChem CID 7409539) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is trans-(1R,2R)-N-(2-methoxy-4-nitrophenyl)-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-(2-methoxy-4-nitrophenyl)-2-phenylcyclopropane-1-carboxamide
PubChem CID7409539
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Nametrans-(1R,2R)-N-(2-methoxy-4-nitrophenyl)-2-phenylcyclopropane-1-carboxamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C17H16N2O4/c1-23-16-9-12(19(21)22)7-8-15(16)18-17(20)14-10-13(14)11-5-3-2-4-6-11/h2-9,13-14H,10H2,1H3,(H,18,20)/t13-,14+/m0/s1
InChIKeyXHUBXRIZJCFAQX-UONOGXRCSA-N
XLogP3.35
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 53.35
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'}

Analyze trans-(1R,2R)-N-(2-methoxy-4-nitrophenyl)-2-phenylcyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methoxy-4-nitrophenyl)-3-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]thiourea
CID 40655251
N-[2-methoxy-4-[3-methoxy-4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]phenyl]-2-phenylcyclopropane-1-carboxamide
CID 3698096
trans-(1S,2S)-N-(2-chloro-5-nitrophenyl)-2-phenylcyclopropane-1-carboxamide
CID 903167
cis-(1S,2R)-N-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 868729
(1R,6S)-4-chloro-6-[(2-methoxy-4-nitrophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 7376061
N-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 3436539
N-(2-chloro-4-methoxyphenyl)-2-phenylcyclopropane-1-carboxamide
CID 86857978
cis-(1R,2S)-N-(4-fluoro-2-methoxyphenyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 32611358
N-(2-methoxy-4-nitrophenyl)pyrrolidine-3-carboxamide
CID 63007363
2,6-dimethoxy-N-(2-methoxy-4-nitrophenyl)benzamide
CID 4285710
1-[(2-methoxy-4-nitrophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62881395
4-benzamido-N-(2-methoxy-4-nitrophenyl)benzamide
CID 17153277

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-(2-methoxy-4-nitrophenyl)-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-(2-methoxy-4-nitrophenyl)-2-phenylcyclopropane-1-carboxamide (CID 7409539) is trans-(1R,2R)-N-(2-methoxy-4-nitrophenyl)-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-(2-methoxy-4-nitrophenyl)-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-(2-methoxy-4-nitrophenyl)-2-phenylcyclopropane-1-carboxamide is COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1C[C@H]1c1ccccc1.
What is the InChIKey of trans-(1R,2R)-N-(2-methoxy-4-nitrophenyl)-2-phenylcyclopropane-1-carboxamide?
The InChIKey is XHUBXRIZJCFAQX-UONOGXRCSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-23-16-9-12(19(21)22)7-8-15(16)18-17(20)14-10-13(14)11-5-3-2-4-6-11/h2-9,13-14H,10H2,1H3,(H,18,20)/t13-,14+/m0/s1.
What are the key properties of trans-(1R,2R)-N-(2-methoxy-4-nitrophenyl)-2-phenylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-(2-methoxy-4-nitrophenyl)-2-phenylcyclopropane-1-carboxamide has a molecular weight of 312.33 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-(2-methoxy-4-nitrophenyl)-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 7409539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).