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

C26H27ClN2O5 — CID 3196744

IUPACN-(3-chlorophenyl)-N-[2-(cyclopentylamino)-1-(2,3-dimethoxyphenyl)-2-oxoethyl]furan-2-carboxamide
SMILESCOc1cccc(C(C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cccc(Cl)c2)c1OC
InChIInChI=1S/C26H27ClN2O5/c1-32-21-13-6-12-20(24(21)33-2)23(25(30)28-18-9-3-4-10-18)29(19-11-5-8-17(27)16-19)26(31)22-14-7-15-34-22/h5-8,11-16,18,23H,3-4,9-10H2,1-2H3,(H,28,30)
InChIKeyIHHNAOVQDQPSLO-UHFFFAOYSA-N
MW482.96 g/mol
LogP5.40
Rot. Bonds8

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

N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-1-(2,3-dimethoxyphenyl)-2-oxoethyl]furan-2-carboxamide (PubChem CID 3196744) has the molecular formula C26H27ClN2O5 and a molecular weight of 482.96 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-1-(2,3-dimethoxyphenyl)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N-[2-(cyclopentylamino)-1-(2,3-dimethoxyphenyl)-2-oxoethyl]furan-2-carboxamide
PubChem CID3196744
Molecular FormulaC26H27ClN2O5
Molecular Weight482.96 g/mol
Exact Mass482.16
IUPAC NameN-(3-chlorophenyl)-N-[2-(cyclopentylamino)-1-(2,3-dimethoxyphenyl)-2-oxoethyl]furan-2-carboxamide
SMILESCOc1cccc(C(C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cccc(Cl)c2)c1OC
InChIInChI=1S/C26H27ClN2O5/c1-32-21-13-6-12-20(24(21)33-2)23(25(30)28-18-9-3-4-10-18)29(19-11-5-8-17(27)16-19)26(31)22-14-7-15-34-22/h5-8,11-16,18,23H,3-4,9-10H2,1-2H3,(H,28,30)
InChIKeyIHHNAOVQDQPSLO-UHFFFAOYSA-N
XLogP5.40
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.96
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]furan-2-carboxamide
CID 3196708
N-(3-chlorophenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide
CID 1441687
N-(3-chloro-4-fluorophenyl)-N-[2-(cyclopentylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]furan-2-carboxamide
CID 3196797
N-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-phenylfuran-2-carboxamide
CID 3196884
N-[(1S)-2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-(3-methoxyphenyl)furan-2-carboxamide
CID 40624258
N-[2-(cyclopentylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(2,3-dihydro-1H-inden-5-yl)furan-2-carboxamide
CID 3196802
N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]furan-2-carboxamide
CID 3196416
N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide
CID 1441767
N-[2-(cyclohexylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide
CID 3191332
N-[2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(4-fluorophenyl)furan-2-carboxamide
CID 3191316
N-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 3196870
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-(2,3-dimethoxyphenyl)-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-1-(2,3-dimethoxyphenyl)-2-oxoethyl]furan-2-carboxamide (CID 3196744) is N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-1-(2,3-dimethoxyphenyl)-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-1-(2,3-dimethoxyphenyl)-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-1-(2,3-dimethoxyphenyl)-2-oxoethyl]furan-2-carboxamide is COc1cccc(C(C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cccc(Cl)c2)c1OC.
What is the InChIKey of N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-1-(2,3-dimethoxyphenyl)-2-oxoethyl]furan-2-carboxamide?
The InChIKey is IHHNAOVQDQPSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN2O5/c1-32-21-13-6-12-20(24(21)33-2)23(25(30)28-18-9-3-4-10-18)29(19-11-5-8-17(27)16-19)26(31)22-14-7-15-34-22/h5-8,11-16,18,23H,3-4,9-10H2,1-2H3,(H,28,30).
What are the key properties of N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-1-(2,3-dimethoxyphenyl)-2-oxoethyl]furan-2-carboxamide?
N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-1-(2,3-dimethoxyphenyl)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 482.96 g/mol, XLogP of 5.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-1-(2,3-dimethoxyphenyl)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 3196744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).