5-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]furan-2-carboxamide

C20H22ClN3O3 — CID 19417199

IUPAC5-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]furan-2-carboxamide
SMILESCCn1ccc(C(C)NC(=O)c2ccc(COc3ccc(Cl)c(C)c3)o2)n1
InChIInChI=1S/C20H22ClN3O3/c1-4-24-10-9-18(23-24)14(3)22-20(25)19-8-6-16(27-19)12-26-15-5-7-17(21)13(2)11-15/h5-11,14H,4,12H2,1-3H3,(H,22,25)
InChIKeyMFRWPAVFUHKDGM-UHFFFAOYSA-N
MW387.87 g/mol
LogP4.53
Rot. Bonds7

About 5-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]furan-2-carboxamide

5-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]furan-2-carboxamide (PubChem CID 19417199) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is 5-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]furan-2-carboxamide
PubChem CID19417199
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC Name5-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]furan-2-carboxamide
SMILESCCn1ccc(C(C)NC(=O)c2ccc(COc3ccc(Cl)c(C)c3)o2)n1
InChIInChI=1S/C20H22ClN3O3/c1-4-24-10-9-18(23-24)14(3)22-20(25)19-8-6-16(27-19)12-26-15-5-7-17(21)13(2)11-15/h5-11,14H,4,12H2,1-3H3,(H,22,25)
InChIKeyMFRWPAVFUHKDGM-UHFFFAOYSA-N
XLogP4.53
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1-ethylpyrazol-3-yl)ethyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19462624
N-[1-(1-ethylpyrazol-3-yl)ethyl]-5-[(4-iodophenoxy)methyl]furan-2-carboxamide
CID 19446050
5-[(2,5-dimethylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]furan-2-carboxamide
CID 19462556
5-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]furan-2-carboxamide
CID 19417098
5-[(4-chloro-3-methylphenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]furan-2-carboxamide
CID 19417001
N-[1-(1,3-benzoxazol-2-yl)ethyl]-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide
CID 110278672
4-[(3,4-dimethylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19445175
5-[(4-chloro-3-methylphenoxy)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide
CID 110279750
5-[(4-chloro-3-methylphenoxy)methyl]-N-(2-hydroxyethyl)furan-2-carboxamide
CID 19416994
N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide
CID 19417154
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]furan-2-carboxamide
CID 19456577
N-(4-acetylphenyl)-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide
CID 19416966

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]furan-2-carboxamide (CID 19417199) is 5-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]furan-2-carboxamide is CCn1ccc(C(C)NC(=O)c2ccc(COc3ccc(Cl)c(C)c3)o2)n1.
What is the InChIKey of 5-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]furan-2-carboxamide?
The InChIKey is MFRWPAVFUHKDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c1-4-24-10-9-18(23-24)14(3)22-20(25)19-8-6-16(27-19)12-26-15-5-7-17(21)13(2)11-15/h5-11,14H,4,12H2,1-3H3,(H,22,25).
What are the key properties of 5-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]furan-2-carboxamide?
5-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]furan-2-carboxamide has a molecular weight of 387.87 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 19417199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).