N-[2-(3,4-dichloro-N-[2-(cyclohexylamino)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide

C21H23Cl2N3O4 — CID 656329

IUPACN-[2-(3,4-dichloro-N-[2-(cyclohexylamino)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CN(C(=O)CNC(=O)c1ccco1)c1ccc(Cl)c(Cl)c1)NC1CCCCC1
InChIInChI=1S/C21H23Cl2N3O4/c22-16-9-8-15(11-17(16)23)26(13-19(27)25-14-5-2-1-3-6-14)20(28)12-24-21(29)18-7-4-10-30-18/h4,7-11,14H,1-3,5-6,12-13H2,(H,24,29)(H,25,27)
InChIKeyCZMKBVYGLCWJKX-UHFFFAOYSA-N
MW452.34 g/mol
LogP3.80
Rot. Bonds7

About N-[2-(3,4-dichloro-N-[2-(cyclohexylamino)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide

N-[2-(3,4-dichloro-N-[2-(cyclohexylamino)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide (PubChem CID 656329) has the molecular formula C21H23Cl2N3O4 and a molecular weight of 452.34 g/mol. Its IUPAC name is N-[2-(3,4-dichloro-N-[2-(cyclohexylamino)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dichloro-N-[2-(cyclohexylamino)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide
PubChem CID656329
Molecular FormulaC21H23Cl2N3O4
Molecular Weight452.34 g/mol
Exact Mass451.11
IUPAC NameN-[2-(3,4-dichloro-N-[2-(cyclohexylamino)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CN(C(=O)CNC(=O)c1ccco1)c1ccc(Cl)c(Cl)c1)NC1CCCCC1
InChIInChI=1S/C21H23Cl2N3O4/c22-16-9-8-15(11-17(16)23)26(13-19(27)25-14-5-2-1-3-6-14)20(28)12-24-21(29)18-7-4-10-30-18/h4,7-11,14H,1-3,5-6,12-13H2,(H,24,29)(H,25,27)
InChIKeyCZMKBVYGLCWJKX-UHFFFAOYSA-N
XLogP3.80
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.34
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichloro-N-[2-(cyclohexylamino)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(3,4-dichloro-N-[2-(cyclohexylamino)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide (CID 656329) is N-[2-(3,4-dichloro-N-[2-(cyclohexylamino)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(3,4-dichloro-N-[2-(cyclohexylamino)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(3,4-dichloro-N-[2-(cyclohexylamino)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide is O=C(CN(C(=O)CNC(=O)c1ccco1)c1ccc(Cl)c(Cl)c1)NC1CCCCC1.
What is the InChIKey of N-[2-(3,4-dichloro-N-[2-(cyclohexylamino)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide?
The InChIKey is CZMKBVYGLCWJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N3O4/c22-16-9-8-15(11-17(16)23)26(13-19(27)25-14-5-2-1-3-6-14)20(28)12-24-21(29)18-7-4-10-30-18/h4,7-11,14H,1-3,5-6,12-13H2,(H,24,29)(H,25,27).
What are the key properties of N-[2-(3,4-dichloro-N-[2-(cyclohexylamino)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide?
N-[2-(3,4-dichloro-N-[2-(cyclohexylamino)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 452.34 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichloro-N-[2-(cyclohexylamino)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 656329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).