N-[2-(3-chlorophenyl)ethyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide

C21H17ClN2O3 — CID 55825170

IUPACN-[2-(3-chlorophenyl)ethyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide
SMILESN#Cc1ccccc1OCc1ccc(C(=O)NCCc2cccc(Cl)c2)o1
InChIInChI=1S/C21H17ClN2O3/c22-17-6-3-4-15(12-17)10-11-24-21(25)20-9-8-18(27-20)14-26-19-7-2-1-5-16(19)13-23/h1-9,12H,10-11,14H2,(H,24,25)
InChIKeyVUVSODPJZOXJQV-UHFFFAOYSA-N
MW380.83 g/mol
LogP4.36
Rot. Bonds7

About N-[2-(3-chlorophenyl)ethyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide

N-[2-(3-chlorophenyl)ethyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide (PubChem CID 55825170) has the molecular formula C21H17ClN2O3 and a molecular weight of 380.83 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide
PubChem CID55825170
Molecular FormulaC21H17ClN2O3
Molecular Weight380.83 g/mol
Exact Mass380.09
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide
SMILESN#Cc1ccccc1OCc1ccc(C(=O)NCCc2cccc(Cl)c2)o1
InChIInChI=1S/C21H17ClN2O3/c22-17-6-3-4-15(12-17)10-11-24-21(25)20-9-8-18(27-20)14-26-19-7-2-1-5-16(19)13-23/h1-9,12H,10-11,14H2,(H,24,25)
InChIKeyVUVSODPJZOXJQV-UHFFFAOYSA-N
XLogP4.36
TPSA75.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.83
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-chlorophenyl)ethyl]-3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]urea
CID 41217679
5-[(2-cyanophenoxy)methyl]-N-[(3-ethoxyphenyl)methyl]furan-2-carboxamide
CID 55844677
N-(4-chloro-2-methylphenyl)-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide
CID 55884416
5-[(2-cyanophenoxy)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 51085773
N-[2-(4-chlorophenyl)ethyl]-5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxamide
CID 3416642
5-(naphthalen-1-yloxymethyl)-N-(2-phenylethyl)furan-2-carboxamide
CID 35526034
N-[[3-(butanoylamino)phenyl]methyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide
CID 55843556
N'-[4-(4-chloro-2-methylphenoxy)butanoyl]-5-[(2-cyanophenoxy)methyl]furan-2-carbohydrazide
CID 55822587
5-[(2-cyanophenoxy)methyl]-N-(4-hydroxycyclohexyl)furan-2-carboxamide
CID 56814629
5-[(2-cyanophenoxy)methyl]-N-[3-(2-methylimidazol-1-yl)propyl]furan-2-carboxamide
CID 55958481
5-[(2-cyanophenoxy)methyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]furan-2-carboxamide
CID 55873591
5-[(2-cyanophenoxy)methyl]-N-[3-(cyclopropylmethoxymethyl)phenyl]furan-2-carboxamide
CID 48585316

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide (CID 55825170) is N-[2-(3-chlorophenyl)ethyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide is N#Cc1ccccc1OCc1ccc(C(=O)NCCc2cccc(Cl)c2)o1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide?
The InChIKey is VUVSODPJZOXJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O3/c22-17-6-3-4-15(12-17)10-11-24-21(25)20-9-8-18(27-20)14-26-19-7-2-1-5-16(19)13-23/h1-9,12H,10-11,14H2,(H,24,25).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide has a molecular weight of 380.83 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 55825170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).