(4-nitrophenyl)methyl 2-(2-chlorophenyl)cyclopropane-1-carboxylate

C17H14ClNO4 — CID 55472517

IUPAC(4-nitrophenyl)methyl 2-(2-chlorophenyl)cyclopropane-1-carboxylate
SMILESO=C(OCc1ccc([N+](=O)[O-])cc1)C1CC1c1ccccc1Cl
InChIInChI=1S/C17H14ClNO4/c18-16-4-2-1-3-13(16)14-9-15(14)17(20)23-10-11-5-7-12(8-6-11)19(21)22/h1-8,14-15H,9-10H2
InChIKeyMZPLBICKIBPCNA-UHFFFAOYSA-N
MW331.76 g/mol
LogP4.10
Rot. Bonds5

About (4-nitrophenyl)methyl 2-(2-chlorophenyl)cyclopropane-1-carboxylate

(4-nitrophenyl)methyl 2-(2-chlorophenyl)cyclopropane-1-carboxylate (PubChem CID 55472517) has the molecular formula C17H14ClNO4 and a molecular weight of 331.76 g/mol. Its IUPAC name is (4-nitrophenyl)methyl 2-(2-chlorophenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Name(4-nitrophenyl)methyl 2-(2-chlorophenyl)cyclopropane-1-carboxylate
PubChem CID55472517
Molecular FormulaC17H14ClNO4
Molecular Weight331.76 g/mol
Exact Mass331.06
IUPAC Name(4-nitrophenyl)methyl 2-(2-chlorophenyl)cyclopropane-1-carboxylate
SMILESO=C(OCc1ccc([N+](=O)[O-])cc1)C1CC1c1ccccc1Cl
InChIInChI=1S/C17H14ClNO4/c18-16-4-2-1-3-13(16)14-9-15(14)17(20)23-10-11-5-7-12(8-6-11)19(21)22/h1-8,14-15H,9-10H2
InChIKeyMZPLBICKIBPCNA-UHFFFAOYSA-N
XLogP4.10
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 54.10
H-Bond Donors ≤ 50
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 (4-nitrophenyl)methyl 2-(2-chlorophenyl)cyclopropane-1-carboxylate 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

bis[(4-nitrophenyl)methyl] benzene-1,2-dicarboxylate
CID 88636598
bis[(4-nitrophenyl)methyl] 4-sulfanylpyrazolidine-1,2-dicarboxylate
CID 10983428
4-[(4-nitrophenyl)methoxycarbonyl]piperidine-1-carboxylic acid
CID 56995490
(4-nitrophenyl)methyl (3R)-1-aminopyrrolidine-3-carboxylate
CID 142640262
(4-nitrophenyl)methyl 1-acetylpiperidine-4-carboxylate
CID 78764011
(4-nitrophenyl)methyl 3-chloro-3-oxopropanoate
CID 71324193
bis[(4-nitrophenyl)methyl] 4-hydroxypyrazolidine-1,2-dicarboxylate
CID 14852197
bis[(4-nitrophenyl)methyl] (2R,3R)-2,3-dihydroxybutanedioate
CID 10432242
carbonotrithioic acid;(4-nitrophenyl)methyl hydrogen carbonate
CID 174801367
hydrazinyl (4-nitrophenyl)methyl carbonate
CID 54150427
(4-nitrophenyl)methyl piperidine-1-carboxylate
CID 14021155
(4-nitrophenyl)methyl furan-2-carboxylate
CID 930641

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl)methyl 2-(2-chlorophenyl)cyclopropane-1-carboxylate?
The IUPAC name of (4-nitrophenyl)methyl 2-(2-chlorophenyl)cyclopropane-1-carboxylate (CID 55472517) is (4-nitrophenyl)methyl 2-(2-chlorophenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for (4-nitrophenyl)methyl 2-(2-chlorophenyl)cyclopropane-1-carboxylate?
The canonical SMILES for (4-nitrophenyl)methyl 2-(2-chlorophenyl)cyclopropane-1-carboxylate is O=C(OCc1ccc([N+](=O)[O-])cc1)C1CC1c1ccccc1Cl.
What is the InChIKey of (4-nitrophenyl)methyl 2-(2-chlorophenyl)cyclopropane-1-carboxylate?
The InChIKey is MZPLBICKIBPCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO4/c18-16-4-2-1-3-13(16)14-9-15(14)17(20)23-10-11-5-7-12(8-6-11)19(21)22/h1-8,14-15H,9-10H2.
What are the key properties of (4-nitrophenyl)methyl 2-(2-chlorophenyl)cyclopropane-1-carboxylate?
(4-nitrophenyl)methyl 2-(2-chlorophenyl)cyclopropane-1-carboxylate has a molecular weight of 331.76 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl)methyl 2-(2-chlorophenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 55472517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).