5-(2-chlorophenyl)-N-[2-(2-ethylimidazol-1-yl)ethyl]furan-2-carboxamide

C18H18ClN3O2 — CID 70717961

IUPAC5-(2-chlorophenyl)-N-[2-(2-ethylimidazol-1-yl)ethyl]furan-2-carboxamide
SMILESCCc1nccn1CCNC(=O)c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C18H18ClN3O2/c1-2-17-20-9-11-22(17)12-10-21-18(23)16-8-7-15(24-16)13-5-3-4-6-14(13)19/h3-9,11H,2,10,12H2,1H3,(H,21,23)
InChIKeyQMCLPLDFUJAPEO-UHFFFAOYSA-N
MW343.81 g/mol
LogP3.79
Rot. Bonds6

About 5-(2-chlorophenyl)-N-[2-(2-ethylimidazol-1-yl)ethyl]furan-2-carboxamide

5-(2-chlorophenyl)-N-[2-(2-ethylimidazol-1-yl)ethyl]furan-2-carboxamide (PubChem CID 70717961) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-[2-(2-ethylimidazol-1-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-[2-(2-ethylimidazol-1-yl)ethyl]furan-2-carboxamide
PubChem CID70717961
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC Name5-(2-chlorophenyl)-N-[2-(2-ethylimidazol-1-yl)ethyl]furan-2-carboxamide
SMILESCCc1nccn1CCNC(=O)c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C18H18ClN3O2/c1-2-17-20-9-11-22(17)12-10-21-18(23)16-8-7-15(24-16)13-5-3-4-6-14(13)19/h3-9,11H,2,10,12H2,1H3,(H,21,23)
InChIKeyQMCLPLDFUJAPEO-UHFFFAOYSA-N
XLogP3.79
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-chlorophenyl)-N-propylfuran-2-carboxamide
CID 5262410
5-(2-chlorophenyl)-N-ethylfuran-2-carboxamide
CID 51188744
5-(2-chlorophenyl)-N-[2-(ethylamino)ethyl]furan-2-carboxamide
CID 119505945
5-(2-chlorophenyl)-N-(2-hydroxyethyl)furan-2-carboxamide
CID 78800704
5-(2-chlorophenyl)-N-(2-pyridin-4-ylethyl)furan-2-carboxamide
CID 70709024
N-(4-amino-4-oxobutyl)-5-(2-chlorophenyl)furan-2-carboxamide
CID 56812733
5-(2-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]furan-2-carboxamide
CID 9080736
methyl 6-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]hexanoate
CID 134014900
N-[2-(2-ethylimidazol-1-yl)ethyl]-2-(4-fluorophenyl)benzamide
CID 91785685
N-[3-(2-ethylimidazol-1-yl)propyl]furan-2-carboxamide
CID 13371088
5-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 9083579
N'-[5-(2-chlorophenyl)furan-2-carbonyl]pyridine-2-carbohydrazide
CID 8866672

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-[2-(2-ethylimidazol-1-yl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-[2-(2-ethylimidazol-1-yl)ethyl]furan-2-carboxamide (CID 70717961) is 5-(2-chlorophenyl)-N-[2-(2-ethylimidazol-1-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-[2-(2-ethylimidazol-1-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-[2-(2-ethylimidazol-1-yl)ethyl]furan-2-carboxamide is CCc1nccn1CCNC(=O)c1ccc(-c2ccccc2Cl)o1.
What is the InChIKey of 5-(2-chlorophenyl)-N-[2-(2-ethylimidazol-1-yl)ethyl]furan-2-carboxamide?
The InChIKey is QMCLPLDFUJAPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c1-2-17-20-9-11-22(17)12-10-21-18(23)16-8-7-15(24-16)13-5-3-4-6-14(13)19/h3-9,11H,2,10,12H2,1H3,(H,21,23).
What are the key properties of 5-(2-chlorophenyl)-N-[2-(2-ethylimidazol-1-yl)ethyl]furan-2-carboxamide?
5-(2-chlorophenyl)-N-[2-(2-ethylimidazol-1-yl)ethyl]furan-2-carboxamide has a molecular weight of 343.81 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-[2-(2-ethylimidazol-1-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 70717961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).