N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide

C23H24FNO4 — CID 9404529

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
SMILESCOc1ccc(CCNC(=O)CCc2ccc(-c3ccccc3F)o2)cc1OC
InChIInChI=1S/C23H24FNO4/c1-27-21-10-7-16(15-22(21)28-2)13-14-25-23(26)12-9-17-8-11-20(29-17)18-5-3-4-6-19(18)24/h3-8,10-11,15H,9,12-14H2,1-2H3,(H,25,26)
InChIKeyNHVVLBRKDCPDDZ-UHFFFAOYSA-N
MW397.45 g/mol
LogP4.39
Rot. Bonds9

About N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide (PubChem CID 9404529) has the molecular formula C23H24FNO4 and a molecular weight of 397.45 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
PubChem CID9404529
Molecular FormulaC23H24FNO4
Molecular Weight397.45 g/mol
Exact Mass397.17
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
SMILESCOc1ccc(CCNC(=O)CCc2ccc(-c3ccccc3F)o2)cc1OC
InChIInChI=1S/C23H24FNO4/c1-27-21-10-7-16(15-22(21)28-2)13-14-25-23(26)12-9-17-8-11-20(29-17)18-5-3-4-6-19(18)24/h3-8,10-11,15H,9,12-14H2,1-2H3,(H,25,26)
InChIKeyNHVVLBRKDCPDDZ-UHFFFAOYSA-N
XLogP4.39
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]ethanamine
CID 4723460
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide
CID 27286046
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 134041285
N-(2-acetamidoethyl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 30598254
N-[2-(ethylamino)ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 119506756
N-[(4-fluoro-3-methylphenyl)methyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 16580078
3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-phenoxyethyl)propanamide
CID 32934045
N-[2-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]ethyl]furan-2-carboxamide
CID 24683496
3-[5-(2-fluorophenyl)furan-2-yl]-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 18282783
2-[2-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]ethylsulfanyl]acetic acid
CID 119242104
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate
CID 55441437
3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120827866

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide (CID 9404529) is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide is COc1ccc(CCNC(=O)CCc2ccc(-c3ccccc3F)o2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide?
The InChIKey is NHVVLBRKDCPDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FNO4/c1-27-21-10-7-16(15-22(21)28-2)13-14-25-23(26)12-9-17-8-11-20(29-17)18-5-3-4-6-19(18)24/h3-8,10-11,15H,9,12-14H2,1-2H3,(H,25,26).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide has a molecular weight of 397.45 g/mol, XLogP of 4.39, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide is sourced from PubChem (CID 9404529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).