2-chloro-N-methyl-N-[(3-nitrophenyl)methyl]furan-3-carboxamide

C13H11ClN2O4 — CID 106686292

IUPAC2-chloro-N-methyl-N-[(3-nitrophenyl)methyl]furan-3-carboxamide
SMILESCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccoc1Cl
InChIInChI=1S/C13H11ClN2O4/c1-15(13(17)11-5-6-20-12(11)14)8-9-3-2-4-10(7-9)16(18)19/h2-7H,8H2,1H3
InChIKeyUKCIAXASNPHEGM-UHFFFAOYSA-N
MW294.69 g/mol
LogP3.11
Rot. Bonds4

About 2-chloro-N-methyl-N-[(3-nitrophenyl)methyl]furan-3-carboxamide

2-chloro-N-methyl-N-[(3-nitrophenyl)methyl]furan-3-carboxamide (PubChem CID 106686292) has the molecular formula C13H11ClN2O4 and a molecular weight of 294.69 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-[(3-nitrophenyl)methyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-[(3-nitrophenyl)methyl]furan-3-carboxamide
PubChem CID106686292
Molecular FormulaC13H11ClN2O4
Molecular Weight294.69 g/mol
Exact Mass294.04
IUPAC Name2-chloro-N-methyl-N-[(3-nitrophenyl)methyl]furan-3-carboxamide
SMILESCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccoc1Cl
InChIInChI=1S/C13H11ClN2O4/c1-15(13(17)11-5-6-20-12(11)14)8-9-3-2-4-10(7-9)16(18)19/h2-7H,8H2,1H3
InChIKeyUKCIAXASNPHEGM-UHFFFAOYSA-N
XLogP3.11
TPSA76.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.69
LogP ≤ 53.11
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'}

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Related Compounds

6-chloro-N-methyl-N-[(3-nitrophenyl)methyl]pyridine-2-carboxamide
CID 62234937
2,4-dichloro-5-fluoro-N-methyl-N-[(3-nitrophenyl)methyl]benzamide
CID 46404947
2-chloro-N-methyl-N-[(4-methylphenyl)methyl]furan-3-carboxamide
CID 106685341
2-chloro-N-methyl-N-[(3-nitrophenyl)methyl]propanamide
CID 54875128
2-chloro-N-(furan-3-ylmethyl)-N-methylfuran-3-carboxamide
CID 106686601
2-bromo-N-methyl-N-[(3-nitrophenyl)methyl]acetamide
CID 63681423
N-[(3-chlorophenyl)methyl]-N-methyl-3,5-dinitrobenzamide
CID 27795250
3-bromo-N-methyl-N-[(3-nitrophenyl)methyl]thiophene-2-carboxamide
CID 47234431
2-amino-N-methyl-N-[(3-nitrophenyl)methyl]propanamide
CID 54871470
N-[(5-bromothiophen-3-yl)methyl]-2-chloro-N-methylfuran-3-carboxamide
CID 106685074
2-chloro-N-methyl-5-nitro-N-(pyridin-4-ylmethyl)benzamide
CID 43564505
2-methoxy-N-methyl-N-[(3-nitrophenyl)methyl]propanamide
CID 112685838

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-[(3-nitrophenyl)methyl]furan-3-carboxamide?
The IUPAC name of 2-chloro-N-methyl-N-[(3-nitrophenyl)methyl]furan-3-carboxamide (CID 106686292) is 2-chloro-N-methyl-N-[(3-nitrophenyl)methyl]furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-methyl-N-[(3-nitrophenyl)methyl]furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-methyl-N-[(3-nitrophenyl)methyl]furan-3-carboxamide is CN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccoc1Cl.
What is the InChIKey of 2-chloro-N-methyl-N-[(3-nitrophenyl)methyl]furan-3-carboxamide?
The InChIKey is UKCIAXASNPHEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O4/c1-15(13(17)11-5-6-20-12(11)14)8-9-3-2-4-10(7-9)16(18)19/h2-7H,8H2,1H3.
What are the key properties of 2-chloro-N-methyl-N-[(3-nitrophenyl)methyl]furan-3-carboxamide?
2-chloro-N-methyl-N-[(3-nitrophenyl)methyl]furan-3-carboxamide has a molecular weight of 294.69 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-[(3-nitrophenyl)methyl]furan-3-carboxamide is sourced from PubChem (CID 106686292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).