N-[4-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]-2-methoxyphenyl]pentanamide

C25H25ClN2O4 — CID 4660294

IUPACN-[4-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]-2-methoxyphenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(NC(=O)C=Cc2ccc(-c3ccc(Cl)cc3)o2)cc1OC
InChIInChI=1S/C25H25ClN2O4/c1-3-4-5-24(29)28-21-13-10-19(16-23(21)31-2)27-25(30)15-12-20-11-14-22(32-20)17-6-8-18(26)9-7-17/h6-16H,3-5H2,1-2H3,(H,27,30)(H,28,29)
InChIKeySRXQBFBDNCIAIL-UHFFFAOYSA-N
MW452.94 g/mol
LogP6.39
Rot. Bonds9

About N-[4-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]-2-methoxyphenyl]pentanamide

N-[4-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]-2-methoxyphenyl]pentanamide (PubChem CID 4660294) has the molecular formula C25H25ClN2O4 and a molecular weight of 452.94 g/mol. Its IUPAC name is N-[4-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]-2-methoxyphenyl]pentanamide.

Molecular Properties

Compound NameN-[4-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]-2-methoxyphenyl]pentanamide
PubChem CID4660294
Molecular FormulaC25H25ClN2O4
Molecular Weight452.94 g/mol
Exact Mass452.15
IUPAC NameN-[4-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]-2-methoxyphenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(NC(=O)C=Cc2ccc(-c3ccc(Cl)cc3)o2)cc1OC
InChIInChI=1S/C25H25ClN2O4/c1-3-4-5-24(29)28-21-13-10-19(16-23(21)31-2)27-25(30)15-12-20-11-14-22(32-20)17-6-8-18(26)9-7-17/h6-16H,3-5H2,1-2H3,(H,27,30)(H,28,29)
InChIKeySRXQBFBDNCIAIL-UHFFFAOYSA-N
XLogP6.39
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.94
LogP ≤ 56.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]-2-methoxyphenyl]-2-methylpropanamide
CID 4312319
2-chloro-N-[4-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]-2-methoxyphenyl]benzamide
CID 4234240
N-[(4-chloro-2,5-dimethoxyphenyl)carbamothioyl]-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enamide
CID 5213145
N-[3-methoxy-4-(pentanoylamino)phenyl]hexanamide
CID 5120447
N-[4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-2-methoxyphenyl]pentanamide
CID 2236777
N-[4-[3-(4-chloro-3-nitrophenyl)prop-2-enoylamino]-2-methoxyphenyl]pentanamide
CID 4995639
(E)-3-[5-(3-chloro-4-fluorophenyl)furan-2-yl]-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]prop-2-enamide
CID 28678367
3-[5-(4-chlorophenyl)furan-2-yl]-N-(2-methoxy-5-nitrophenyl)prop-2-enamide
CID 3530863
(E)-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]-N-(2,4-dimethoxyphenyl)prop-2-enamide
CID 19630743
N-[4-(4-butanoylpiperazin-1-yl)phenyl]-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enamide
CID 4575677
N-[(5-chloro-2-methylphenyl)carbamothioyl]-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enamide
CID 4008388
3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-(2,4-dimethoxyphenyl)prop-2-enamide
CID 5014101

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]-2-methoxyphenyl]pentanamide?
The IUPAC name of N-[4-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]-2-methoxyphenyl]pentanamide (CID 4660294) is N-[4-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]-2-methoxyphenyl]pentanamide.
What is the SMILES notation for N-[4-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]-2-methoxyphenyl]pentanamide?
The canonical SMILES for N-[4-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]-2-methoxyphenyl]pentanamide is CCCCC(=O)Nc1ccc(NC(=O)C=Cc2ccc(-c3ccc(Cl)cc3)o2)cc1OC.
What is the InChIKey of N-[4-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]-2-methoxyphenyl]pentanamide?
The InChIKey is SRXQBFBDNCIAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O4/c1-3-4-5-24(29)28-21-13-10-19(16-23(21)31-2)27-25(30)15-12-20-11-14-22(32-20)17-6-8-18(26)9-7-17/h6-16H,3-5H2,1-2H3,(H,27,30)(H,28,29).
What are the key properties of N-[4-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]-2-methoxyphenyl]pentanamide?
N-[4-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]-2-methoxyphenyl]pentanamide has a molecular weight of 452.94 g/mol, XLogP of 6.39, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]-2-methoxyphenyl]pentanamide is sourced from PubChem (CID 4660294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).