N-[3-[(4-chlorobenzoyl)amino]propyl]-N-(4-phenoxyphenyl)furan-2-carboxamide

C27H23ClN2O4 — CID 42726086

IUPACN-[3-[(4-chlorobenzoyl)amino]propyl]-N-(4-phenoxyphenyl)furan-2-carboxamide
SMILESO=C(NCCCN(C(=O)c1ccco1)c1ccc(Oc2ccccc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C27H23ClN2O4/c28-21-11-9-20(10-12-21)26(31)29-17-5-18-30(27(32)25-8-4-19-33-25)22-13-15-24(16-14-22)34-23-6-2-1-3-7-23/h1-4,6-16,19H,5,17-18H2,(H,29,31)
InChIKeyAATMPEYCWDZSCV-UHFFFAOYSA-N
MW474.94 g/mol
LogP6.19
Rot. Bonds9

About N-[3-[(4-chlorobenzoyl)amino]propyl]-N-(4-phenoxyphenyl)furan-2-carboxamide

N-[3-[(4-chlorobenzoyl)amino]propyl]-N-(4-phenoxyphenyl)furan-2-carboxamide (PubChem CID 42726086) has the molecular formula C27H23ClN2O4 and a molecular weight of 474.94 g/mol. Its IUPAC name is N-[3-[(4-chlorobenzoyl)amino]propyl]-N-(4-phenoxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-chlorobenzoyl)amino]propyl]-N-(4-phenoxyphenyl)furan-2-carboxamide
PubChem CID42726086
Molecular FormulaC27H23ClN2O4
Molecular Weight474.94 g/mol
Exact Mass474.13
IUPAC NameN-[3-[(4-chlorobenzoyl)amino]propyl]-N-(4-phenoxyphenyl)furan-2-carboxamide
SMILESO=C(NCCCN(C(=O)c1ccco1)c1ccc(Oc2ccccc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C27H23ClN2O4/c28-21-11-9-20(10-12-21)26(31)29-17-5-18-30(27(32)25-8-4-19-33-25)22-13-15-24(16-14-22)34-23-6-2-1-3-7-23/h1-4,6-16,19H,5,17-18H2,(H,29,31)
InChIKeyAATMPEYCWDZSCV-UHFFFAOYSA-N
XLogP6.19
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.94
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(2,2-dichloroacetyl)amino]propyl]-N-(4-phenoxyphenyl)furan-2-carboxamide
CID 42726275
N-[3-(dodecanoylamino)propyl]-N-(4-phenoxyphenyl)furan-2-carboxamide
CID 42726465
N-[2-(N-acetyl-4-phenoxyanilino)ethyl]furan-2-carboxamide
CID 113062542
4-chloro-N-(4-phenylbutyl)benzamide
CID 2057490
3-[N-(furan-2-carbonyl)anilino]propanoic acid
CID 28764053
4-butyl-N-[3-[N-[(4-chlorophenyl)carbamoyl]anilino]propyl]benzamide
CID 42700558
4-ethyl-N-[3-[N-[(4-nitrophenyl)carbamoyl]-4-phenoxyanilino]propyl]benzamide
CID 42702782
N-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-N-(4-fluorophenyl)furan-2-carboxamide
CID 42708664
N'-[2-(4-chlorophenyl)acetyl]-4-phenoxybenzohydrazide
CID 31727117
N-[2-(N-acetyl-4-chloroanilino)ethyl]benzamide
CID 113059617
[2-(furan-2-carbonylamino)-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate
CID 24557874
2,4-dichloro-N-[3-(N-(4-methoxybenzoyl)anilino)propyl]benzamide
CID 42706752

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-chlorobenzoyl)amino]propyl]-N-(4-phenoxyphenyl)furan-2-carboxamide?
The IUPAC name of N-[3-[(4-chlorobenzoyl)amino]propyl]-N-(4-phenoxyphenyl)furan-2-carboxamide (CID 42726086) is N-[3-[(4-chlorobenzoyl)amino]propyl]-N-(4-phenoxyphenyl)furan-2-carboxamide.
What is the SMILES notation for N-[3-[(4-chlorobenzoyl)amino]propyl]-N-(4-phenoxyphenyl)furan-2-carboxamide?
The canonical SMILES for N-[3-[(4-chlorobenzoyl)amino]propyl]-N-(4-phenoxyphenyl)furan-2-carboxamide is O=C(NCCCN(C(=O)c1ccco1)c1ccc(Oc2ccccc2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[3-[(4-chlorobenzoyl)amino]propyl]-N-(4-phenoxyphenyl)furan-2-carboxamide?
The InChIKey is AATMPEYCWDZSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClN2O4/c28-21-11-9-20(10-12-21)26(31)29-17-5-18-30(27(32)25-8-4-19-33-25)22-13-15-24(16-14-22)34-23-6-2-1-3-7-23/h1-4,6-16,19H,5,17-18H2,(H,29,31).
What are the key properties of N-[3-[(4-chlorobenzoyl)amino]propyl]-N-(4-phenoxyphenyl)furan-2-carboxamide?
N-[3-[(4-chlorobenzoyl)amino]propyl]-N-(4-phenoxyphenyl)furan-2-carboxamide has a molecular weight of 474.94 g/mol, XLogP of 6.19, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-chlorobenzoyl)amino]propyl]-N-(4-phenoxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 42726086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).