N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide

C23H23Cl2N3O2 — CID 3989552

IUPACN-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide
SMILESCCN1CCN(c2c(Cl)cccc2NC(=O)c2ccc(-c3cccc(Cl)c3)o2)CC1
InChIInChI=1S/C23H23Cl2N3O2/c1-2-27-11-13-28(14-12-27)22-18(25)7-4-8-19(22)26-23(29)21-10-9-20(30-21)16-5-3-6-17(24)15-16/h3-10,15H,2,11-14H2,1H3,(H,26,29)
InChIKeyGUHDYUPVTGIKGP-UHFFFAOYSA-N
MW444.36 g/mol
LogP5.65
Rot. Bonds5

About N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide

N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide (PubChem CID 3989552) has the molecular formula C23H23Cl2N3O2 and a molecular weight of 444.36 g/mol. Its IUPAC name is N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide
PubChem CID3989552
Molecular FormulaC23H23Cl2N3O2
Molecular Weight444.36 g/mol
Exact Mass443.12
IUPAC NameN-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide
SMILESCCN1CCN(c2c(Cl)cccc2NC(=O)c2ccc(-c3cccc(Cl)c3)o2)CC1
InChIInChI=1S/C23H23Cl2N3O2/c1-2-27-11-13-28(14-12-27)22-18(25)7-4-8-19(22)26-23(29)21-10-9-20(30-21)16-5-3-6-17(24)15-16/h3-10,15H,2,11-14H2,1H3,(H,26,29)
InChIKeyGUHDYUPVTGIKGP-UHFFFAOYSA-N
XLogP5.65
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.36
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-chlorophenyl)-N-[4-(4-ethylpiperazin-1-yl)phenyl]furan-2-carboxamide
CID 22775537
5-(3-chlorophenyl)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]furan-2-carboxamide
CID 22780800
(E)-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-3-(5-phenylfuran-2-yl)prop-2-enamide
CID 17335729
5-(3-chlorophenyl)-N-(2-piperidin-1-ylphenyl)furan-2-carboxamide
CID 3656622
N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-5-(4-chlorophenyl)furan-2-carboxamide
CID 17066264
N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enamide
CID 4997463
N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]-5-(3-chlorophenyl)furan-2-carboxamide
CID 17117990
N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-5-(3-chlorophenyl)furan-2-carboxamide
CID 17091564
N-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-(3-chlorophenyl)furan-2-carboxamide
CID 17111808
N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-4-methoxybenzamide
CID 5030809
N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-3,4-dimethoxybenzamide
CID 5021302
5-chloro-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 4653783

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide?
The IUPAC name of N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide (CID 3989552) is N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide?
The canonical SMILES for N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide is CCN1CCN(c2c(Cl)cccc2NC(=O)c2ccc(-c3cccc(Cl)c3)o2)CC1.
What is the InChIKey of N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide?
The InChIKey is GUHDYUPVTGIKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N3O2/c1-2-27-11-13-28(14-12-27)22-18(25)7-4-8-19(22)26-23(29)21-10-9-20(30-21)16-5-3-6-17(24)15-16/h3-10,15H,2,11-14H2,1H3,(H,26,29).
What are the key properties of N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide?
N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide has a molecular weight of 444.36 g/mol, XLogP of 5.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 3989552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).