2,2-dichloro-N-(4-nitrophenyl)-3-phenylcyclopropane-1-carboxamide

C16H12Cl2N2O3 — CID 2885035

IUPAC2,2-dichloro-N-(4-nitrophenyl)-3-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)C1C(c2ccccc2)C1(Cl)Cl
InChIInChI=1S/C16H12Cl2N2O3/c17-16(18)13(10-4-2-1-3-5-10)14(16)15(21)19-11-6-8-12(9-7-11)20(22)23/h1-9,13-14H,(H,19,21)
InChIKeyRSGFLVVZBNZJKO-UHFFFAOYSA-N
MW351.19 g/mol
LogP4.12
Rot. Bonds4

About 2,2-dichloro-N-(4-nitrophenyl)-3-phenylcyclopropane-1-carboxamide

2,2-dichloro-N-(4-nitrophenyl)-3-phenylcyclopropane-1-carboxamide (PubChem CID 2885035) has the molecular formula C16H12Cl2N2O3 and a molecular weight of 351.19 g/mol. Its IUPAC name is 2,2-dichloro-N-(4-nitrophenyl)-3-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-(4-nitrophenyl)-3-phenylcyclopropane-1-carboxamide
PubChem CID2885035
Molecular FormulaC16H12Cl2N2O3
Molecular Weight351.19 g/mol
Exact Mass350.02
IUPAC Name2,2-dichloro-N-(4-nitrophenyl)-3-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)C1C(c2ccccc2)C1(Cl)Cl
InChIInChI=1S/C16H12Cl2N2O3/c17-16(18)13(10-4-2-1-3-5-10)14(16)15(21)19-11-6-8-12(9-7-11)20(22)23/h1-9,13-14H,(H,19,21)
InChIKeyRSGFLVVZBNZJKO-UHFFFAOYSA-N
XLogP4.12
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,2-dichloro-N-(4-nitrophenyl)-3-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

trans-(1R,3R)-2,2-dichloro-N-(3-nitrophenyl)-3-phenylcyclopropane-1-carboxamide
CID 2267020
2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(4-nitrophenyl)cyclopropanecarbonyl]amino]-N-(3,3-difluorocyclobutyl)benzamide
CID 122615321
2,4-bis(4-nitrophenyl)-1-N,3-N-diphenylcyclobutane-1,3-dicarboxamide
CID 122396351
2,2-dichloro-N-(3-methoxyphenyl)-3-phenylcyclopropane-1-carboxamide
CID 2832306
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2-methyl-4-nitrophenyl)benzamide
CID 122618161
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2-fluoro-4-nitrophenyl)benzamide
CID 122617928
trans-(1R,3R)-2,2-dichloro-3-phenyl-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide
CID 7033280
trans-(1S,3S)-2,2-dichloro-3-phenyl-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 2177123
(3R)-N-(4-nitrophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 7325425
1-(4-nitrophenyl)-3-[4-(2-oxo-2-phenylacetyl)phenyl]urea
CID 3126804
2,2-dichloro-N-(4-chloro-3-nitrophenyl)-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 165144684
trans-(1R,3R)-2,2-dichloro-N-(4-chloro-3-nitrophenyl)-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 165144653

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-(4-nitrophenyl)-3-phenylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-(4-nitrophenyl)-3-phenylcyclopropane-1-carboxamide (CID 2885035) is 2,2-dichloro-N-(4-nitrophenyl)-3-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-(4-nitrophenyl)-3-phenylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-(4-nitrophenyl)-3-phenylcyclopropane-1-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cc1)C1C(c2ccccc2)C1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-(4-nitrophenyl)-3-phenylcyclopropane-1-carboxamide?
The InChIKey is RSGFLVVZBNZJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O3/c17-16(18)13(10-4-2-1-3-5-10)14(16)15(21)19-11-6-8-12(9-7-11)20(22)23/h1-9,13-14H,(H,19,21).
What are the key properties of 2,2-dichloro-N-(4-nitrophenyl)-3-phenylcyclopropane-1-carboxamide?
2,2-dichloro-N-(4-nitrophenyl)-3-phenylcyclopropane-1-carboxamide has a molecular weight of 351.19 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-(4-nitrophenyl)-3-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 2885035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).