N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide

C24H27ClN2O4 — CID 110278361

IUPACN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide
SMILESCOc1cccc(OCc2ccc(C(=O)NC(CCN(C)C)c3ccc(Cl)cc3)o2)c1
InChIInChI=1S/C24H27ClN2O4/c1-27(2)14-13-22(17-7-9-18(25)10-8-17)26-24(28)23-12-11-21(31-23)16-30-20-6-4-5-19(15-20)29-3/h4-12,15,22H,13-14,16H2,1-3H3,(H,26,28)
InChIKeyCVNDMCCNCMOZDE-UHFFFAOYSA-N
MW442.94 g/mol
LogP4.94
Rot. Bonds10

About N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide

N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide (PubChem CID 110278361) has the molecular formula C24H27ClN2O4 and a molecular weight of 442.94 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide
PubChem CID110278361
Molecular FormulaC24H27ClN2O4
Molecular Weight442.94 g/mol
Exact Mass442.17
IUPAC NameN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide
SMILESCOc1cccc(OCc2ccc(C(=O)NC(CCN(C)C)c3ccc(Cl)cc3)o2)c1
InChIInChI=1S/C24H27ClN2O4/c1-27(2)14-13-22(17-7-9-18(25)10-8-17)26-24(28)23-12-11-21(31-23)16-30-20-6-4-5-19(15-20)29-3/h4-12,15,22H,13-14,16H2,1-3H3,(H,26,28)
InChIKeyCVNDMCCNCMOZDE-UHFFFAOYSA-N
XLogP4.94
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.94
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide
CID 110278359
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 110281606
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-(4-methoxyphenyl)acetamide
CID 15983443
2-(4-chlorophenyl)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]acetamide
CID 110278648
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19284185
5-[(3,5-dimethoxyphenoxy)methyl]furan-2-carbohydrazide
CID 63570670
5-[(3-chlorophenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 19446135
N-[1-(4-butan-2-ylphenyl)propyl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19448118
N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19337126
N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-naphthalen-2-ylbenzamide
CID 24953762
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 110281615
4-(4-chlorophenyl)-N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]benzamide;hydrochloride
CID 45481577

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide (CID 110278361) is N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide is COc1cccc(OCc2ccc(C(=O)NC(CCN(C)C)c3ccc(Cl)cc3)o2)c1.
What is the InChIKey of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide?
The InChIKey is CVNDMCCNCMOZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN2O4/c1-27(2)14-13-22(17-7-9-18(25)10-8-17)26-24(28)23-12-11-21(31-23)16-30-20-6-4-5-19(15-20)29-3/h4-12,15,22H,13-14,16H2,1-3H3,(H,26,28).
What are the key properties of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide?
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide has a molecular weight of 442.94 g/mol, XLogP of 4.94, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 110278361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).