N-(3-chlorophenyl)-5-(4-nitrophenyl)furan-2-carboxamide

C17H11ClN2O4 — CID 773409

IUPACN-(3-chlorophenyl)-5-(4-nitrophenyl)furan-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1
InChIInChI=1S/C17H11ClN2O4/c18-12-2-1-3-13(10-12)19-17(21)16-9-8-15(24-16)11-4-6-14(7-5-11)20(22)23/h1-10H,(H,19,21)
InChIKeyNAPFSSHSVDTNTI-UHFFFAOYSA-N
MW342.74 g/mol
LogP4.76
Rot. Bonds4

About N-(3-chlorophenyl)-5-(4-nitrophenyl)furan-2-carboxamide

N-(3-chlorophenyl)-5-(4-nitrophenyl)furan-2-carboxamide (PubChem CID 773409) has the molecular formula C17H11ClN2O4 and a molecular weight of 342.74 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-(4-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-(4-nitrophenyl)furan-2-carboxamide
PubChem CID773409
Molecular FormulaC17H11ClN2O4
Molecular Weight342.74 g/mol
Exact Mass342.04
IUPAC NameN-(3-chlorophenyl)-5-(4-nitrophenyl)furan-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1
InChIInChI=1S/C17H11ClN2O4/c18-12-2-1-3-13(10-12)19-17(21)16-9-8-15(24-16)11-4-6-14(7-5-11)20(22)23/h1-10H,(H,19,21)
InChIKeyNAPFSSHSVDTNTI-UHFFFAOYSA-N
XLogP4.76
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.74
LogP ≤ 54.76
H-Bond Donors ≤ 51
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

N-(3-benzamidophenyl)-5-(4-nitrophenyl)furan-2-carboxamide
CID 3127976
5-(4-nitrophenyl)-N-[(3-nitrophenyl)carbamothioyl]furan-2-carboxamide
CID 3567710
5-(4-nitrophenyl)-N-(3-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide
CID 4572523
1-(3-chlorophenyl)-3-[4-(4-nitrophenyl)phenyl]urea
CID 16760870
5-(2-chlorophenyl)-N-(3-nitrophenyl)furan-2-carboxamide
CID 945636
N-(3-anilinophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 90448753
5-(4-nitrophenyl)-N-[4-[(E)-2-phenylethenyl]phenyl]furan-2-carboxamide
CID 6129980
5-(4-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 7962022
N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 28670712
N-(2,5-dichlorophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 1110114
N-[4-(4-chlorophenoxy)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 3614971
2-[3-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]phenyl]acetic acid
CID 59654716

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-(4-nitrophenyl)furan-2-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-5-(4-nitrophenyl)furan-2-carboxamide (CID 773409) is N-(3-chlorophenyl)-5-(4-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-5-(4-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-5-(4-nitrophenyl)furan-2-carboxamide is O=C(Nc1cccc(Cl)c1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1.
What is the InChIKey of N-(3-chlorophenyl)-5-(4-nitrophenyl)furan-2-carboxamide?
The InChIKey is NAPFSSHSVDTNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2O4/c18-12-2-1-3-13(10-12)19-17(21)16-9-8-15(24-16)11-4-6-14(7-5-11)20(22)23/h1-10H,(H,19,21).
What are the key properties of N-(3-chlorophenyl)-5-(4-nitrophenyl)furan-2-carboxamide?
N-(3-chlorophenyl)-5-(4-nitrophenyl)furan-2-carboxamide has a molecular weight of 342.74 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-(4-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 773409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).