N-[3-(3,4-dichlorophenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]-4-imidazol-1-ylbenzamide

C26H24Cl2N4O4 — CID 22288864

IUPACN-[3-(3,4-dichlorophenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]-4-imidazol-1-ylbenzamide
SMILESO=C(NC(Cc1ccc(Cl)c(Cl)c1)C(=O)NC12CCCC1OCC2=O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C26H24Cl2N4O4/c27-19-8-3-16(12-20(19)28)13-21(25(35)31-26-9-1-2-23(26)36-14-22(26)33)30-24(34)17-4-6-18(7-5-17)32-11-10-29-15-32/h3-8,10-12,15,21,23H,1-2,9,13-14H2,(H,30,34)(H,31,35)
InChIKeyVPZISXSUNXCPEJ-UHFFFAOYSA-N
MW527.41 g/mol
LogP3.53
Rot. Bonds7

About N-[3-(3,4-dichlorophenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]-4-imidazol-1-ylbenzamide

N-[3-(3,4-dichlorophenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]-4-imidazol-1-ylbenzamide (PubChem CID 22288864) has the molecular formula C26H24Cl2N4O4 and a molecular weight of 527.41 g/mol. Its IUPAC name is N-[3-(3,4-dichlorophenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]-4-imidazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[3-(3,4-dichlorophenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]-4-imidazol-1-ylbenzamide
PubChem CID22288864
Molecular FormulaC26H24Cl2N4O4
Molecular Weight527.41 g/mol
Exact Mass526.12
IUPAC NameN-[3-(3,4-dichlorophenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]-4-imidazol-1-ylbenzamide
SMILESO=C(NC(Cc1ccc(Cl)c(Cl)c1)C(=O)NC12CCCC1OCC2=O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C26H24Cl2N4O4/c27-19-8-3-16(12-20(19)28)13-21(25(35)31-26-9-1-2-23(26)36-14-22(26)33)30-24(34)17-4-6-18(7-5-17)32-11-10-29-15-32/h3-8,10-12,15,21,23H,1-2,9,13-14H2,(H,30,34)(H,31,35)
InChIKeyVPZISXSUNXCPEJ-UHFFFAOYSA-N
XLogP3.53
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.41
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(3,4-dichlorophenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 91031307
N-[3-(3,4-dichlorophenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]-1-benzothiophene-3-carboxamide
CID 91027622
N-[3-(4-chlorophenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 91009458
N-[3-(3-hydroxyphenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]-1,3-benzothiazole-5-carboxamide
CID 91596185
N-[4-methyl-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]pentan-2-yl]furan-3-carboxamide
CID 90912947
4-imidazol-1-yl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 31532996
4-imidazol-1-yl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 31532997
N-[3-cyclopropyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-4-imidazol-1-ylbenzamide
CID 69051102
N-(2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 166481098
N-[3-(3,4-dichlorophenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]quinoline-6-carboxamide
CID 91444771
methyl 3-cyclopropyl-3-[(4-imidazol-1-ylbenzoyl)amino]propanoate
CID 71973763
N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-6-imidazol-1-yl-4-oxochromene-2-carboxamide
CID 58733126

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dichlorophenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]-4-imidazol-1-ylbenzamide?
The IUPAC name of N-[3-(3,4-dichlorophenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]-4-imidazol-1-ylbenzamide (CID 22288864) is N-[3-(3,4-dichlorophenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]-4-imidazol-1-ylbenzamide.
What is the SMILES notation for N-[3-(3,4-dichlorophenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]-4-imidazol-1-ylbenzamide?
The canonical SMILES for N-[3-(3,4-dichlorophenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]-4-imidazol-1-ylbenzamide is O=C(NC(Cc1ccc(Cl)c(Cl)c1)C(=O)NC12CCCC1OCC2=O)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[3-(3,4-dichlorophenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]-4-imidazol-1-ylbenzamide?
The InChIKey is VPZISXSUNXCPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24Cl2N4O4/c27-19-8-3-16(12-20(19)28)13-21(25(35)31-26-9-1-2-23(26)36-14-22(26)33)30-24(34)17-4-6-18(7-5-17)32-11-10-29-15-32/h3-8,10-12,15,21,23H,1-2,9,13-14H2,(H,30,34)(H,31,35).
What are the key properties of N-[3-(3,4-dichlorophenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]-4-imidazol-1-ylbenzamide?
N-[3-(3,4-dichlorophenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]-4-imidazol-1-ylbenzamide has a molecular weight of 527.41 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dichlorophenyl)-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]propan-2-yl]-4-imidazol-1-ylbenzamide is sourced from PubChem (CID 22288864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).