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

C24H23ClN2O4 — CID 4312319

IUPACN-[4-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]-2-methoxyphenyl]-2-methylpropanamide
SMILESCOc1cc(NC(=O)C=Cc2ccc(-c3ccc(Cl)cc3)o2)ccc1NC(=O)C(C)C
InChIInChI=1S/C24H23ClN2O4/c1-15(2)24(29)27-20-11-8-18(14-22(20)30-3)26-23(28)13-10-19-9-12-21(31-19)16-4-6-17(25)7-5-16/h4-15H,1-3H3,(H,26,28)(H,27,29)
InChIKeyFVYVOJFZMFVICY-UHFFFAOYSA-N
MW438.91 g/mol
LogP5.86
Rot. Bonds7

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

N-[4-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]-2-methoxyphenyl]-2-methylpropanamide (PubChem CID 4312319) has the molecular formula C24H23ClN2O4 and a molecular weight of 438.91 g/mol. Its IUPAC name is N-[4-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]-2-methoxyphenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]-2-methoxyphenyl]-2-methylpropanamide
PubChem CID4312319
Molecular FormulaC24H23ClN2O4
Molecular Weight438.91 g/mol
Exact Mass438.13
IUPAC NameN-[4-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]-2-methoxyphenyl]-2-methylpropanamide
SMILESCOc1cc(NC(=O)C=Cc2ccc(-c3ccc(Cl)cc3)o2)ccc1NC(=O)C(C)C
InChIInChI=1S/C24H23ClN2O4/c1-15(2)24(29)27-20-11-8-18(14-22(20)30-3)26-23(28)13-10-19-9-12-21(31-19)16-4-6-17(25)7-5-16/h4-15H,1-3H3,(H,26,28)(H,27,29)
InChIKeyFVYVOJFZMFVICY-UHFFFAOYSA-N
XLogP5.86
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.91
LogP ≤ 55.86
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

2-chloro-N-[4-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]-2-methoxyphenyl]benzamide
CID 4234240
N-[4-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]-2-methoxyphenyl]pentanamide
CID 4660294
(E)-3-[5-(3-chloro-4-fluorophenyl)furan-2-yl]-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]prop-2-enamide
CID 28678367
N-[(4-chloro-2,5-dimethoxyphenyl)carbamothioyl]-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enamide
CID 5213145
3-[5-(4-chlorophenyl)furan-2-yl]-N-(2-methoxy-5-nitrophenyl)prop-2-enamide
CID 3530863
3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-(2,4-dimethoxyphenyl)prop-2-enamide
CID 5014101
(E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-(2,4-dimethoxyphenyl)prop-2-enamide
CID 6247958
(E)-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]-N-(2,4-dimethoxyphenyl)prop-2-enamide
CID 19630743
N-[4-[3-(5-bromo-2-methoxyphenyl)prop-2-enoylamino]-2-methoxyphenyl]-2-methylpropanamide
CID 3332193
(E)-3-[5-(4-chlorophenyl)furan-2-yl]-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]prop-2-enamide
CID 17220127
(E)-N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enamide
CID 17116589
3-[5-(4-chlorophenyl)furan-2-yl]-N-(2,4,6-trimethylphenyl)prop-2-enamide
CID 3988299

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]-2-methoxyphenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]-2-methoxyphenyl]-2-methylpropanamide (CID 4312319) is N-[4-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]-2-methoxyphenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]-2-methoxyphenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]-2-methoxyphenyl]-2-methylpropanamide is COc1cc(NC(=O)C=Cc2ccc(-c3ccc(Cl)cc3)o2)ccc1NC(=O)C(C)C.
What is the InChIKey of N-[4-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]-2-methoxyphenyl]-2-methylpropanamide?
The InChIKey is FVYVOJFZMFVICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O4/c1-15(2)24(29)27-20-11-8-18(14-22(20)30-3)26-23(28)13-10-19-9-12-21(31-19)16-4-6-17(25)7-5-16/h4-15H,1-3H3,(H,26,28)(H,27,29).
What are the key properties of N-[4-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]-2-methoxyphenyl]-2-methylpropanamide?
N-[4-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]-2-methoxyphenyl]-2-methylpropanamide has a molecular weight of 438.91 g/mol, XLogP of 5.86, 7 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]-2-methylpropanamide is sourced from PubChem (CID 4312319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).