N-(4-chloro-2-methylphenyl)-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide

C20H15ClN2O3 — CID 55884416

IUPACN-(4-chloro-2-methylphenyl)-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1ccc(COc2ccccc2C#N)o1
InChIInChI=1S/C20H15ClN2O3/c1-13-10-15(21)6-8-17(13)23-20(24)19-9-7-16(26-19)12-25-18-5-3-2-4-14(18)11-22/h2-10H,12H2,1H3,(H,23,24)
InChIKeyISMHDLMMLIFXRO-UHFFFAOYSA-N
MW366.80 g/mol
LogP4.94
Rot. Bonds5

About N-(4-chloro-2-methylphenyl)-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide

N-(4-chloro-2-methylphenyl)-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide (PubChem CID 55884416) has the molecular formula C20H15ClN2O3 and a molecular weight of 366.80 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide
PubChem CID55884416
Molecular FormulaC20H15ClN2O3
Molecular Weight366.80 g/mol
Exact Mass366.08
IUPAC NameN-(4-chloro-2-methylphenyl)-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1ccc(COc2ccccc2C#N)o1
InChIInChI=1S/C20H15ClN2O3/c1-13-10-15(21)6-8-17(13)23-20(24)19-9-7-16(26-19)12-25-18-5-3-2-4-14(18)11-22/h2-10H,12H2,1H3,(H,23,24)
InChIKeyISMHDLMMLIFXRO-UHFFFAOYSA-N
XLogP4.94
TPSA75.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.80
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[4-(4-chloro-2-methylphenoxy)butanoyl]-5-[(2-cyanophenoxy)methyl]furan-2-carbohydrazide
CID 55822587
N-(2-benzoyl-4-chlorophenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19454982
N-(2,4-dichlorophenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 51781977
5-[(4-chloro-2-methylphenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide
CID 19457516
5-[(4-chloro-2-methylphenoxy)methyl]-N-(2,3-dimethylphenyl)furan-2-carboxamide
CID 19457390
N-[2-(3-chlorophenyl)ethyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide
CID 55825170
5-[(2-methylphenoxy)methyl]-N-(2-methylphenyl)furan-2-carboxamide
CID 6460539
5-[(4-chloro-2-methylphenoxy)methyl]-N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 19457399
5-[(2-cyanophenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide
CID 47051140
5-[(4-chloro-2-methylphenoxy)methyl]-N-(2-methoxy-5-methylphenyl)furan-2-carboxamide
CID 19457438
N-(2-fluoro-5-methylphenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19455034
5-[(2-cyanophenoxy)methyl]-N-(6-methoxy-3-pyridinyl)furan-2-carboxamide
CID 47051131

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide (CID 55884416) is N-(4-chloro-2-methylphenyl)-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide is Cc1cc(Cl)ccc1NC(=O)c1ccc(COc2ccccc2C#N)o1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide?
The InChIKey is ISMHDLMMLIFXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O3/c1-13-10-15(21)6-8-17(13)23-20(24)19-9-7-16(26-19)12-25-18-5-3-2-4-14(18)11-22/h2-10H,12H2,1H3,(H,23,24).
What are the key properties of N-(4-chloro-2-methylphenyl)-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide?
N-(4-chloro-2-methylphenyl)-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide has a molecular weight of 366.80 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 55884416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).