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

C23H15ClN2O5 — CID 3614971

IUPACN-[4-(4-chlorophenoxy)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1
InChIInChI=1S/C23H15ClN2O5/c24-16-4-8-19(9-5-16)30-20-10-6-17(7-11-20)25-23(27)22-13-12-21(31-22)15-2-1-3-18(14-15)26(28)29/h1-14H,(H,25,27)
InChIKeySABMWWUKUVEIFJ-UHFFFAOYSA-N
MW434.84 g/mol
LogP6.55
Rot. Bonds6

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

N-[4-(4-chlorophenoxy)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide (PubChem CID 3614971) has the molecular formula C23H15ClN2O5 and a molecular weight of 434.84 g/mol. Its IUPAC name is N-[4-(4-chlorophenoxy)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenoxy)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide
PubChem CID3614971
Molecular FormulaC23H15ClN2O5
Molecular Weight434.84 g/mol
Exact Mass434.07
IUPAC NameN-[4-(4-chlorophenoxy)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1
InChIInChI=1S/C23H15ClN2O5/c24-16-4-8-19(9-5-16)30-20-10-6-17(7-11-20)25-23(27)22-13-12-21(31-22)15-2-1-3-18(14-15)26(28)29/h1-14H,(H,25,27)
InChIKeySABMWWUKUVEIFJ-UHFFFAOYSA-N
XLogP6.55
TPSA94.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.84
LogP ≤ 56.55
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-(4-bromophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 1110113
N-(4-ethylphenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 940023
N-(2,5-dichlorophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 1110114
N-[[4-[(2,4-dichlorobenzoyl)amino]phenyl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 3593536
5-(3-chlorophenyl)-N-(4-methoxyphenyl)furan-2-carboxamide
CID 880701
N-(3-anilinophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 90448753
2-hydroxy-4-[[5-(3-nitrophenyl)furan-2-carbonyl]amino]benzoic acid
CID 28670699
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 5038151
N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 28670712
N-(4-methoxy-2-nitrophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 3588829
N-(3-chlorophenyl)-5-(4-nitrophenyl)furan-2-carboxamide
CID 773409
N-(2-fluorophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 940584

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenoxy)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide?
The IUPAC name of N-[4-(4-chlorophenoxy)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide (CID 3614971) is N-[4-(4-chlorophenoxy)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[4-(4-chlorophenoxy)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for N-[4-(4-chlorophenoxy)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide is O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1.
What is the InChIKey of N-[4-(4-chlorophenoxy)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide?
The InChIKey is SABMWWUKUVEIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClN2O5/c24-16-4-8-19(9-5-16)30-20-10-6-17(7-11-20)25-23(27)22-13-12-21(31-22)15-2-1-3-18(14-15)26(28)29/h1-14H,(H,25,27).
What are the key properties of N-[4-(4-chlorophenoxy)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide?
N-[4-(4-chlorophenoxy)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide has a molecular weight of 434.84 g/mol, XLogP of 6.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenoxy)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 3614971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).