N-(4-chloro-2-methoxy-5-methylphenyl)-2-(furan-2-yl)acetamide

C14H14ClNO3 — CID 110690762

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-(furan-2-yl)acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)Cc1ccco1
InChIInChI=1S/C14H14ClNO3/c1-9-6-12(13(18-2)8-11(9)15)16-14(17)7-10-4-3-5-19-10/h3-6,8H,7H2,1-2H3,(H,16,17)
InChIKeySWKYOPCMUGNGGV-UHFFFAOYSA-N
MW279.72 g/mol
LogP3.43
Rot. Bonds4

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-(furan-2-yl)acetamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-(furan-2-yl)acetamide (PubChem CID 110690762) has the molecular formula C14H14ClNO3 and a molecular weight of 279.72 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(furan-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(furan-2-yl)acetamide
PubChem CID110690762
Molecular FormulaC14H14ClNO3
Molecular Weight279.72 g/mol
Exact Mass279.07
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(furan-2-yl)acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)Cc1ccco1
InChIInChI=1S/C14H14ClNO3/c1-9-6-12(13(18-2)8-11(9)15)16-14(17)7-10-4-3-5-19-10/h3-6,8H,7H2,1-2H3,(H,16,17)
InChIKeySWKYOPCMUGNGGV-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(furan-2-yl)acetamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(furan-2-yl)acetamide (CID 110690762) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(furan-2-yl)acetamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(furan-2-yl)acetamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(furan-2-yl)acetamide is COc1cc(Cl)c(C)cc1NC(=O)Cc1ccco1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(furan-2-yl)acetamide?
The InChIKey is SWKYOPCMUGNGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3/c1-9-6-12(13(18-2)8-11(9)15)16-14(17)7-10-4-3-5-19-10/h3-6,8H,7H2,1-2H3,(H,16,17).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(furan-2-yl)acetamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(furan-2-yl)acetamide has a molecular weight of 279.72 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(furan-2-yl)acetamide is sourced from PubChem (CID 110690762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).