N-[3-[(4-prop-2-enoxybenzoyl)amino]phenyl]furan-2-carboxamide

C21H18N2O4 — CID 26169104

IUPACN-[3-[(4-prop-2-enoxybenzoyl)amino]phenyl]furan-2-carboxamide
SMILESC=CCOc1ccc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1
InChIInChI=1S/C21H18N2O4/c1-2-12-26-18-10-8-15(9-11-18)20(24)22-16-5-3-6-17(14-16)23-21(25)19-7-4-13-27-19/h2-11,13-14H,1,12H2,(H,22,24)(H,23,25)
InChIKeyJZBNSEXAVVSKQA-UHFFFAOYSA-N
MW362.39 g/mol
LogP4.35
Rot. Bonds7

About N-[3-[(4-prop-2-enoxybenzoyl)amino]phenyl]furan-2-carboxamide

N-[3-[(4-prop-2-enoxybenzoyl)amino]phenyl]furan-2-carboxamide (PubChem CID 26169104) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-[3-[(4-prop-2-enoxybenzoyl)amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-prop-2-enoxybenzoyl)amino]phenyl]furan-2-carboxamide
PubChem CID26169104
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC NameN-[3-[(4-prop-2-enoxybenzoyl)amino]phenyl]furan-2-carboxamide
SMILESC=CCOc1ccc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1
InChIInChI=1S/C21H18N2O4/c1-2-12-26-18-10-8-15(9-11-18)20(24)22-16-5-3-6-17(14-16)23-21(25)19-7-4-13-27-19/h2-11,13-14H,1,12H2,(H,22,24)(H,23,25)
InChIKeyJZBNSEXAVVSKQA-UHFFFAOYSA-N
XLogP4.35
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[4-(2-ethoxyethoxy)benzoyl]amino]phenyl]furan-2-carboxamide
CID 26169191
N-[3-(propanoylamino)phenyl]-4-prop-2-enoxybenzamide
CID 17188298
4-phenylmethoxy-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086755
methyl 3-[(4-prop-2-enoxybenzoyl)amino]benzoate
CID 53285181
N-[5-[(3-prop-2-enoxyphenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 86835443
2-[4-[[3-(furan-2-carbonylamino)benzoyl]amino]phenoxy]acetic acid
CID 17172382
N-[4-[(3-methoxy-4-prop-2-enoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 42014838
4-(2-methylpropoxy)-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086729
N-(3,4-dimethylphenyl)-4-prop-2-enoxybenzamide
CID 4778952
N-[3-[(4-nitrobenzoyl)amino]phenyl]furan-2-carboxamide
CID 1333464
N-[3-[(3-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 27244358
N-[3-[[(4-propan-2-yloxybenzoyl)amino]methyl]phenyl]furan-2-carboxamide
CID 39228978

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-prop-2-enoxybenzoyl)amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[(4-prop-2-enoxybenzoyl)amino]phenyl]furan-2-carboxamide (CID 26169104) is N-[3-[(4-prop-2-enoxybenzoyl)amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[(4-prop-2-enoxybenzoyl)amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[(4-prop-2-enoxybenzoyl)amino]phenyl]furan-2-carboxamide is C=CCOc1ccc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1.
What is the InChIKey of N-[3-[(4-prop-2-enoxybenzoyl)amino]phenyl]furan-2-carboxamide?
The InChIKey is JZBNSEXAVVSKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-2-12-26-18-10-8-15(9-11-18)20(24)22-16-5-3-6-17(14-16)23-21(25)19-7-4-13-27-19/h2-11,13-14H,1,12H2,(H,22,24)(H,23,25).
What are the key properties of N-[3-[(4-prop-2-enoxybenzoyl)amino]phenyl]furan-2-carboxamide?
N-[3-[(4-prop-2-enoxybenzoyl)amino]phenyl]furan-2-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-prop-2-enoxybenzoyl)amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 26169104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).