N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]furan-2-carboxamide

C25H25ClN2O4 — CID 3196708

IUPACN-(3-chlorophenyl)-N-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]furan-2-carboxamide
SMILESCOc1cccc(C(C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cccc(Cl)c2)c1
InChIInChI=1S/C25H25ClN2O4/c1-31-21-12-4-7-17(15-21)23(24(29)27-19-9-2-3-10-19)28(20-11-5-8-18(26)16-20)25(30)22-13-6-14-32-22/h4-8,11-16,19,23H,2-3,9-10H2,1H3,(H,27,29)
InChIKeyPPSMTSPUHXZOSE-UHFFFAOYSA-N
MW452.94 g/mol
LogP5.39
Rot. Bonds7

About N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]furan-2-carboxamide

N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]furan-2-carboxamide (PubChem CID 3196708) has the molecular formula C25H25ClN2O4 and a molecular weight of 452.94 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]furan-2-carboxamide
PubChem CID3196708
Molecular FormulaC25H25ClN2O4
Molecular Weight452.94 g/mol
Exact Mass452.15
IUPAC NameN-(3-chlorophenyl)-N-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]furan-2-carboxamide
SMILESCOc1cccc(C(C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cccc(Cl)c2)c1
InChIInChI=1S/C25H25ClN2O4/c1-31-21-12-4-7-17(15-21)23(24(29)27-19-9-2-3-10-19)28(20-11-5-8-18(26)16-20)25(30)22-13-6-14-32-22/h4-8,11-16,19,23H,2-3,9-10H2,1H3,(H,27,29)
InChIKeyPPSMTSPUHXZOSE-UHFFFAOYSA-N
XLogP5.39
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.94
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide
CID 1441687
N-(1,3-benzodioxol-5-yl)-N-[(1R)-2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]furan-2-carboxamide
CID 1469243
N-[(1S)-2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-(3-methoxyphenyl)furan-2-carboxamide
CID 40624258
N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-1-(2,3-dimethoxyphenyl)-2-oxoethyl]furan-2-carboxamide
CID 3196744
N-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(2-ethylphenyl)furan-2-carboxamide
CID 3196667
N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]furan-2-carboxamide
CID 3196416
N-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 3196870
N-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-phenylfuran-2-carboxamide
CID 3196884
N-[(1R)-2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(2-phenylethyl)furan-2-carboxamide
CID 25311662
N-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
CID 3196704
N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-methylphenyl)furan-2-carboxamide
CID 3196936
N-[(1S)-2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3,5-dimethoxyphenyl)furan-2-carboxamide
CID 1441925

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]furan-2-carboxamide (CID 3196708) is N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]furan-2-carboxamide is COc1cccc(C(C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cccc(Cl)c2)c1.
What is the InChIKey of N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]furan-2-carboxamide?
The InChIKey is PPSMTSPUHXZOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O4/c1-31-21-12-4-7-17(15-21)23(24(29)27-19-9-2-3-10-19)28(20-11-5-8-18(26)16-20)25(30)22-13-6-14-32-22/h4-8,11-16,19,23H,2-3,9-10H2,1H3,(H,27,29).
What are the key properties of N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]furan-2-carboxamide?
N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 452.94 g/mol, XLogP of 5.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 3196708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).