N-[3-(4-chlorophenoxy)-5-nitrophenyl]furan-2-carboxamide

C17H11ClN2O5 — CID 1103084

IUPACN-[3-(4-chlorophenoxy)-5-nitrophenyl]furan-2-carboxamide
SMILESO=C(Nc1cc(Oc2ccc(Cl)cc2)cc([N+](=O)[O-])c1)c1ccco1
InChIInChI=1S/C17H11ClN2O5/c18-11-3-5-14(6-4-11)25-15-9-12(8-13(10-15)20(22)23)19-17(21)16-2-1-7-24-16/h1-10H,(H,19,21)
InChIKeyIXFAXMLZEWUMEH-UHFFFAOYSA-N
MW358.74 g/mol
LogP4.89
Rot. Bonds5

About N-[3-(4-chlorophenoxy)-5-nitrophenyl]furan-2-carboxamide

N-[3-(4-chlorophenoxy)-5-nitrophenyl]furan-2-carboxamide (PubChem CID 1103084) has the molecular formula C17H11ClN2O5 and a molecular weight of 358.74 g/mol. Its IUPAC name is N-[3-(4-chlorophenoxy)-5-nitrophenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenoxy)-5-nitrophenyl]furan-2-carboxamide
PubChem CID1103084
Molecular FormulaC17H11ClN2O5
Molecular Weight358.74 g/mol
Exact Mass358.04
IUPAC NameN-[3-(4-chlorophenoxy)-5-nitrophenyl]furan-2-carboxamide
SMILESO=C(Nc1cc(Oc2ccc(Cl)cc2)cc([N+](=O)[O-])c1)c1ccco1
InChIInChI=1S/C17H11ClN2O5/c18-11-3-5-14(6-4-11)25-15-9-12(8-13(10-15)20(22)23)19-17(21)16-2-1-7-24-16/h1-10H,(H,19,21)
InChIKeyIXFAXMLZEWUMEH-UHFFFAOYSA-N
XLogP4.89
TPSA94.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.74
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-(3-fluoro-5-nitrophenyl)furan-2-carboxamide
CID 107335365
N-[3-(4-chlorophenoxy)-5-nitrophenyl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19448138
methyl 4-[[5-[[3-(4-chlorophenoxy)-5-nitrophenyl]carbamoyl]furan-2-yl]methoxy]benzoate
CID 19449047
N-[3-(4-chlorophenoxy)-5-nitrophenyl]-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19455492
2-[3-(4-chlorophenoxy)-5-nitroanilino]ethene-1,1,2-tricarbonitrile
CID 168608688
3-(4-chlorophenyl)-N-[3-(4-methylphenoxy)-5-nitrophenyl]-1H-pyrazole-5-carboxamide
CID 19509431
5-[(3-chlorophenoxy)methyl]-N-[3-(4-methylphenoxy)-5-nitrophenyl]furan-2-carboxamide
CID 19446177
5-[(3-chlorophenoxy)methyl]-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]furan-2-carboxamide
CID 19446179
3-[5-[[3-(4-chlorophenoxy)-5-nitrophenyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19490129
N-(3-amino-5-phenoxyphenyl)furan-2-carboxamide
CID 3862534
N-[4-(4-chlorophenoxy)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 3614971
N-[3-[(2-chloro-5-nitrobenzoyl)amino]phenyl]furan-2-carboxamide
CID 40510567

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenoxy)-5-nitrophenyl]furan-2-carboxamide?
The IUPAC name of N-[3-(4-chlorophenoxy)-5-nitrophenyl]furan-2-carboxamide (CID 1103084) is N-[3-(4-chlorophenoxy)-5-nitrophenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(4-chlorophenoxy)-5-nitrophenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-(4-chlorophenoxy)-5-nitrophenyl]furan-2-carboxamide is O=C(Nc1cc(Oc2ccc(Cl)cc2)cc([N+](=O)[O-])c1)c1ccco1.
What is the InChIKey of N-[3-(4-chlorophenoxy)-5-nitrophenyl]furan-2-carboxamide?
The InChIKey is IXFAXMLZEWUMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2O5/c18-11-3-5-14(6-4-11)25-15-9-12(8-13(10-15)20(22)23)19-17(21)16-2-1-7-24-16/h1-10H,(H,19,21).
What are the key properties of N-[3-(4-chlorophenoxy)-5-nitrophenyl]furan-2-carboxamide?
N-[3-(4-chlorophenoxy)-5-nitrophenyl]furan-2-carboxamide has a molecular weight of 358.74 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenoxy)-5-nitrophenyl]furan-2-carboxamide is sourced from PubChem (CID 1103084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).