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

C18H17Cl2N3O3 — CID 19296693

IUPACN-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-[(3-chlorophenoxy)methyl]furan-2-carboxamide
SMILESCCn1ncc(Cl)c1CNC(=O)c1ccc(COc2cccc(Cl)c2)o1
InChIInChI=1S/C18H17Cl2N3O3/c1-2-23-16(15(20)9-22-23)10-21-18(24)17-7-6-14(26-17)11-25-13-5-3-4-12(19)8-13/h3-9H,2,10-11H2,1H3,(H,21,24)
InChIKeyFAMDSFMFEBZBPZ-UHFFFAOYSA-N
MW394.26 g/mol
LogP4.31
Rot. Bonds7

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

N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-[(3-chlorophenoxy)methyl]furan-2-carboxamide (PubChem CID 19296693) has the molecular formula C18H17Cl2N3O3 and a molecular weight of 394.26 g/mol. Its IUPAC name is N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-[(3-chlorophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-[(3-chlorophenoxy)methyl]furan-2-carboxamide
PubChem CID19296693
Molecular FormulaC18H17Cl2N3O3
Molecular Weight394.26 g/mol
Exact Mass393.06
IUPAC NameN-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-[(3-chlorophenoxy)methyl]furan-2-carboxamide
SMILESCCn1ncc(Cl)c1CNC(=O)c1ccc(COc2cccc(Cl)c2)o1
InChIInChI=1S/C18H17Cl2N3O3/c1-2-23-16(15(20)9-22-23)10-21-18(24)17-7-6-14(26-17)11-25-13-5-3-4-12(19)8-13/h3-9H,2,10-11H2,1H3,(H,21,24)
InChIKeyFAMDSFMFEBZBPZ-UHFFFAOYSA-N
XLogP4.31
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.26
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-[(4-chloro-2-methylphenoxy)methyl]furan-2-carboxamide
CID 19296812
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-[(3-chlorophenoxy)methyl]benzamide
CID 19296674
5-[(3-chlorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide
CID 19292519
5-[(3-chlorophenoxy)methyl]-N-[(3,4-diethoxyphenyl)methyl]furan-2-carboxamide
CID 19446192
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-5-[(4-bromophenoxy)methyl]furan-2-carboxamide
CID 19323062
5-[(3-chlorophenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 19446135
5-(1,3-benzodioxol-5-yloxymethyl)-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]furan-2-carboxamide
CID 19465732
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-[(4-chlorophenoxy)methyl]benzamide
CID 19296860
5-[(4-chloro-2-methylphenoxy)methyl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]furan-2-carboxamide
CID 19290461
5-[(4-chloro-3-methylphenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]furan-2-carboxamide
CID 19417001
N-[(1-ethylpyrazol-4-yl)methyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 19467233
N-[3-[[5-[(4-chlorophenoxy)methyl]furan-2-carbonyl]amino]phenyl]-2-ethylpyrazole-3-carboxamide
CID 19415389

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-[(3-chlorophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-[(3-chlorophenoxy)methyl]furan-2-carboxamide (CID 19296693) is N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-[(3-chlorophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-[(3-chlorophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-[(3-chlorophenoxy)methyl]furan-2-carboxamide is CCn1ncc(Cl)c1CNC(=O)c1ccc(COc2cccc(Cl)c2)o1.
What is the InChIKey of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-[(3-chlorophenoxy)methyl]furan-2-carboxamide?
The InChIKey is FAMDSFMFEBZBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O3/c1-2-23-16(15(20)9-22-23)10-21-18(24)17-7-6-14(26-17)11-25-13-5-3-4-12(19)8-13/h3-9H,2,10-11H2,1H3,(H,21,24).
What are the key properties of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-[(3-chlorophenoxy)methyl]furan-2-carboxamide?
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-[(3-chlorophenoxy)methyl]furan-2-carboxamide has a molecular weight of 394.26 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-[(3-chlorophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19296693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).