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

C23H23Cl3N2O3 — CID 110278359

IUPACN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide
SMILESCN(C)CCC(NC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1)c1ccc(Cl)cc1
InChIInChI=1S/C23H23Cl3N2O3/c1-28(2)12-11-20(15-3-5-16(24)6-4-15)27-23(29)22-10-8-18(31-22)14-30-21-9-7-17(25)13-19(21)26/h3-10,13,20H,11-12,14H2,1-2H3,(H,27,29)
InChIKeyRUMMZSANBDSRFS-UHFFFAOYSA-N
MW481.81 g/mol
LogP6.24
Rot. Bonds9

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

N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide (PubChem CID 110278359) has the molecular formula C23H23Cl3N2O3 and a molecular weight of 481.81 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide
PubChem CID110278359
Molecular FormulaC23H23Cl3N2O3
Molecular Weight481.81 g/mol
Exact Mass480.08
IUPAC NameN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide
SMILESCN(C)CCC(NC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1)c1ccc(Cl)cc1
InChIInChI=1S/C23H23Cl3N2O3/c1-28(2)12-11-20(15-3-5-16(24)6-4-15)27-23(29)22-10-8-18(31-22)14-30-21-9-7-17(25)13-19(21)26/h3-10,13,20H,11-12,14H2,1-2H3,(H,27,29)
InChIKeyRUMMZSANBDSRFS-UHFFFAOYSA-N
XLogP6.24
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.81
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide
CID 110278361
5-[(2,4-dichlorophenoxy)methyl]-N-ethylfuran-2-carboxamide
CID 19456984
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 110281606
methyl 2-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]acetate
CID 19456933
2-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]acetic acid
CID 126213765
5-[(2-chloro-4-nitrophenoxy)methyl]-N-[1-(4-methylphenyl)propyl]furan-2-carboxamide
CID 19461861
N-[1-(4-butan-2-ylphenyl)propyl]-5-[(2-chloro-4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19461862
N-[1-(1-adamantyl)propyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide
CID 19456889
N-(cyclopropylmethyl)-5-[(2,4-dichlorophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 95748474
4-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]benzoic acid
CID 126203909
5-[(2-chloro-4-nitrophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide
CID 19461875
2-(2,4-dichlorophenoxy)-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]propanamide
CID 110281695

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide (CID 110278359) is N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide is CN(C)CCC(NC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide?
The InChIKey is RUMMZSANBDSRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl3N2O3/c1-28(2)12-11-20(15-3-5-16(24)6-4-15)27-23(29)22-10-8-18(31-22)14-30-21-9-7-17(25)13-19(21)26/h3-10,13,20H,11-12,14H2,1-2H3,(H,27,29).
What are the key properties of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide?
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide has a molecular weight of 481.81 g/mol, XLogP of 6.24, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 110278359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).