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

C14H14ClNO3 — CID 110781838

IUPACN-[(5-chloro-2-methoxy-4-methylphenyl)methyl]furan-2-carboxamide
SMILESCOc1cc(C)c(Cl)cc1CNC(=O)c1ccco1
InChIInChI=1S/C14H14ClNO3/c1-9-6-13(18-2)10(7-11(9)15)8-16-14(17)12-4-3-5-19-12/h3-7H,8H2,1-2H3,(H,16,17)
InChIKeyRGWOBADLKVJGIB-UHFFFAOYSA-N
MW279.72 g/mol
LogP3.18
Rot. Bonds4

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

N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]furan-2-carboxamide (PubChem CID 110781838) has the molecular formula C14H14ClNO3 and a molecular weight of 279.72 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxy-4-methylphenyl)methyl]furan-2-carboxamide
PubChem CID110781838
Molecular FormulaC14H14ClNO3
Molecular Weight279.72 g/mol
Exact Mass279.07
IUPAC NameN-[(5-chloro-2-methoxy-4-methylphenyl)methyl]furan-2-carboxamide
SMILESCOc1cc(C)c(Cl)cc1CNC(=O)c1ccco1
InChIInChI=1S/C14H14ClNO3/c1-9-6-13(18-2)10(7-11(9)15)8-16-14(17)12-4-3-5-19-12/h3-7H,8H2,1-2H3,(H,16,17)
InChIKeyRGWOBADLKVJGIB-UHFFFAOYSA-N
XLogP3.18
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxy-4-propan-2-ylphenyl)methyl]furan-2-carboxamide
CID 110782905
N-[(2,4-dimethoxy-3-methylphenyl)methyl]furan-2-carboxamide
CID 110783199
N-[2-methyl-5-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 27843323
N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-3-hydroxypropanamide
CID 115139022
N-[2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]ethyl]furan-2-carboxamide
CID 24683474
N-(furan-2-ylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)acetamide
CID 110767919
N-[2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9269646
5-bromo-N-[(2-methoxy-4,5-dimethylphenyl)methyl]furan-2-carboxamide
CID 110793657
N-[(3-tert-butyl-4-methoxyphenyl)methyl]furan-2-carboxamide
CID 110780466
N-[6-(4-chloro-2-methoxy-5-methylanilino)pyridazin-3-yl]furan-2-carboxamide
CID 113050980
N-[(2-ethoxyphenyl)methyl]furan-2-carboxamide
CID 28635209
N-[(4-ethoxy-3-methylphenyl)methyl]furan-2-carboxamide
CID 110781919

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]furan-2-carboxamide?
The IUPAC name of N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]furan-2-carboxamide (CID 110781838) is N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]furan-2-carboxamide is COc1cc(C)c(Cl)cc1CNC(=O)c1ccco1.
What is the InChIKey of N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]furan-2-carboxamide?
The InChIKey is RGWOBADLKVJGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3/c1-9-6-13(18-2)10(7-11(9)15)8-16-14(17)12-4-3-5-19-12/h3-7H,8H2,1-2H3,(H,16,17).
What are the key properties of N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]furan-2-carboxamide?
N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]furan-2-carboxamide has a molecular weight of 279.72 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 110781838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).