N-[2-[[4-[2-(2,4-dichlorophenoxy)propanoylamino]benzoyl]amino]ethyl]furan-2-carboxamide

C23H21Cl2N3O5 — CID 121062746

IUPACN-[2-[[4-[2-(2,4-dichlorophenoxy)propanoylamino]benzoyl]amino]ethyl]furan-2-carboxamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C(=O)NCCNC(=O)c2ccco2)cc1
InChIInChI=1S/C23H21Cl2N3O5/c1-14(33-19-9-6-16(24)13-18(19)25)21(29)28-17-7-4-15(5-8-17)22(30)26-10-11-27-23(31)20-3-2-12-32-20/h2-9,12-14H,10-11H2,1H3,(H,26,30)(H,27,31)(H,28,29)
InChIKeyNIHPFTWWDHSZFV-UHFFFAOYSA-N
MW490.34 g/mol
LogP4.15
Rot. Bonds9

About N-[2-[[4-[2-(2,4-dichlorophenoxy)propanoylamino]benzoyl]amino]ethyl]furan-2-carboxamide

N-[2-[[4-[2-(2,4-dichlorophenoxy)propanoylamino]benzoyl]amino]ethyl]furan-2-carboxamide (PubChem CID 121062746) has the molecular formula C23H21Cl2N3O5 and a molecular weight of 490.34 g/mol. Its IUPAC name is N-[2-[[4-[2-(2,4-dichlorophenoxy)propanoylamino]benzoyl]amino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-[2-(2,4-dichlorophenoxy)propanoylamino]benzoyl]amino]ethyl]furan-2-carboxamide
PubChem CID121062746
Molecular FormulaC23H21Cl2N3O5
Molecular Weight490.34 g/mol
Exact Mass489.09
IUPAC NameN-[2-[[4-[2-(2,4-dichlorophenoxy)propanoylamino]benzoyl]amino]ethyl]furan-2-carboxamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C(=O)NCCNC(=O)c2ccco2)cc1
InChIInChI=1S/C23H21Cl2N3O5/c1-14(33-19-9-6-16(24)13-18(19)25)21(29)28-17-7-4-15(5-8-17)22(30)26-10-11-27-23(31)20-3-2-12-32-20/h2-9,12-14H,10-11H2,1H3,(H,26,30)(H,27,31)(H,28,29)
InChIKeyNIHPFTWWDHSZFV-UHFFFAOYSA-N
XLogP4.15
TPSA109.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.34
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062756
N-[2-[[4-(2-phenoxypropanoylamino)benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062862
N-[2-[[4-[2-(4-methoxyphenoxy)propanoylamino]benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062881
N-[2-[[4-[2-(1,3-benzodioxol-5-yloxy)propanoylamino]benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062763
N-[(E)-1-[4-[2-(4-chloro-2-methylphenoxy)propanoylamino]phenyl]ethylideneamino]furan-2-carboxamide
CID 17373926
(2R)-N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 1010932
N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]-2-methylpropanamide
CID 1293450
methyl 4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzoate
CID 1010111
N-[2-[[4-[(3,4-diethoxybenzoyl)amino]benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062797
N-[3-[2-(2,4-dichlorophenoxy)propanoylcarbamothioylamino]phenyl]furan-2-carboxamide
CID 4274390
(2R)-2-(2,4-dichlorophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 1335441
(2S)-N-[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(2,4-dichlorophenoxy)propanamide
CID 124542404

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[2-(2,4-dichlorophenoxy)propanoylamino]benzoyl]amino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[4-[2-(2,4-dichlorophenoxy)propanoylamino]benzoyl]amino]ethyl]furan-2-carboxamide (CID 121062746) is N-[2-[[4-[2-(2,4-dichlorophenoxy)propanoylamino]benzoyl]amino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[4-[2-(2,4-dichlorophenoxy)propanoylamino]benzoyl]amino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[4-[2-(2,4-dichlorophenoxy)propanoylamino]benzoyl]amino]ethyl]furan-2-carboxamide is CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C(=O)NCCNC(=O)c2ccco2)cc1.
What is the InChIKey of N-[2-[[4-[2-(2,4-dichlorophenoxy)propanoylamino]benzoyl]amino]ethyl]furan-2-carboxamide?
The InChIKey is NIHPFTWWDHSZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N3O5/c1-14(33-19-9-6-16(24)13-18(19)25)21(29)28-17-7-4-15(5-8-17)22(30)26-10-11-27-23(31)20-3-2-12-32-20/h2-9,12-14H,10-11H2,1H3,(H,26,30)(H,27,31)(H,28,29).
What are the key properties of N-[2-[[4-[2-(2,4-dichlorophenoxy)propanoylamino]benzoyl]amino]ethyl]furan-2-carboxamide?
N-[2-[[4-[2-(2,4-dichlorophenoxy)propanoylamino]benzoyl]amino]ethyl]furan-2-carboxamide has a molecular weight of 490.34 g/mol, XLogP of 4.15, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[2-(2,4-dichlorophenoxy)propanoylamino]benzoyl]amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 121062746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).