2,2-dichloro-N-(4,5-diethoxy-2-nitrophenyl)cyclopropane-1-carboxamide

C14H16Cl2N2O5 — CID 78828996

IUPAC2,2-dichloro-N-(4,5-diethoxy-2-nitrophenyl)cyclopropane-1-carboxamide
SMILESCCOc1cc(NC(=O)C2CC2(Cl)Cl)c([N+](=O)[O-])cc1OCC
InChIInChI=1S/C14H16Cl2N2O5/c1-3-22-11-5-9(17-13(19)8-7-14(8,15)16)10(18(20)21)6-12(11)23-4-2/h5-6,8H,3-4,7H2,1-2H3,(H,17,19)
InChIKeyPGSNUZHHUDPBJI-UHFFFAOYSA-N
MW363.20 g/mol
LogP3.52
Rot. Bonds7

About 2,2-dichloro-N-(4,5-diethoxy-2-nitrophenyl)cyclopropane-1-carboxamide

2,2-dichloro-N-(4,5-diethoxy-2-nitrophenyl)cyclopropane-1-carboxamide (PubChem CID 78828996) has the molecular formula C14H16Cl2N2O5 and a molecular weight of 363.20 g/mol. Its IUPAC name is 2,2-dichloro-N-(4,5-diethoxy-2-nitrophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-(4,5-diethoxy-2-nitrophenyl)cyclopropane-1-carboxamide
PubChem CID78828996
Molecular FormulaC14H16Cl2N2O5
Molecular Weight363.20 g/mol
Exact Mass362.04
IUPAC Name2,2-dichloro-N-(4,5-diethoxy-2-nitrophenyl)cyclopropane-1-carboxamide
SMILESCCOc1cc(NC(=O)C2CC2(Cl)Cl)c([N+](=O)[O-])cc1OCC
InChIInChI=1S/C14H16Cl2N2O5/c1-3-22-11-5-9(17-13(19)8-7-14(8,15)16)10(18(20)21)6-12(11)23-4-2/h5-6,8H,3-4,7H2,1-2H3,(H,17,19)
InChIKeyPGSNUZHHUDPBJI-UHFFFAOYSA-N
XLogP3.52
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

N-(4,5-diethoxy-2-nitrophenyl)butanamide
CID 86912973
(4,5-diethoxy-2-nitrophenyl)hydrazine
CID 60920771
N-(4,5-diethoxy-2-nitrophenyl)-3-phenylpropanamide
CID 86912979
N-(4,5-diethoxy-2-nitrophenyl)-2,4-dimethylbenzamide
CID 86912988
5-[[(4,5-diethoxy-2-nitrophenyl)carbamoylamino]methyl]oxolane-2-carboxamide
CID 167876993
N-(5-ethoxy-2,4-dinitrophenyl)-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanamide
CID 14577516
tert-butyl N-(4-chloro-5-ethoxy-2-nitrophenyl)carbamate
CID 69489069
N-(4,5-diethoxy-2-nitrophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 86912998
N-(4-ethoxy-5-nitro-2-pyridinyl)acetamide
CID 23966737
N-(4,5-diethoxy-2-nitrophenyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 78829003
5-acetamido-4-ethoxy-2-nitrobenzoic acid
CID 56605207
N-[4-methoxy-5-[(4-methylpiperidin-1-yl)methoxy]-2-nitrophenyl]acetamide
CID 67106627

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-(4,5-diethoxy-2-nitrophenyl)cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-(4,5-diethoxy-2-nitrophenyl)cyclopropane-1-carboxamide (CID 78828996) is 2,2-dichloro-N-(4,5-diethoxy-2-nitrophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-(4,5-diethoxy-2-nitrophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-(4,5-diethoxy-2-nitrophenyl)cyclopropane-1-carboxamide is CCOc1cc(NC(=O)C2CC2(Cl)Cl)c([N+](=O)[O-])cc1OCC.
What is the InChIKey of 2,2-dichloro-N-(4,5-diethoxy-2-nitrophenyl)cyclopropane-1-carboxamide?
The InChIKey is PGSNUZHHUDPBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O5/c1-3-22-11-5-9(17-13(19)8-7-14(8,15)16)10(18(20)21)6-12(11)23-4-2/h5-6,8H,3-4,7H2,1-2H3,(H,17,19).
What are the key properties of 2,2-dichloro-N-(4,5-diethoxy-2-nitrophenyl)cyclopropane-1-carboxamide?
2,2-dichloro-N-(4,5-diethoxy-2-nitrophenyl)cyclopropane-1-carboxamide has a molecular weight of 363.20 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-(4,5-diethoxy-2-nitrophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 78828996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).