3-[5-(3-chloro-2-methylphenyl)furan-2-yl]propanamide

C14H14ClNO2 — CID 91686842

IUPAC3-[5-(3-chloro-2-methylphenyl)furan-2-yl]propanamide
SMILESCc1c(Cl)cccc1-c1ccc(CCC(N)=O)o1
InChIInChI=1S/C14H14ClNO2/c1-9-11(3-2-4-12(9)15)13-7-5-10(18-13)6-8-14(16)17/h2-5,7H,6,8H2,1H3,(H2,16,17)
InChIKeyLJJYIXRFSPKMMN-UHFFFAOYSA-N
MW263.72 g/mol
LogP3.33
Rot. Bonds4

About 3-[5-(3-chloro-2-methylphenyl)furan-2-yl]propanamide

3-[5-(3-chloro-2-methylphenyl)furan-2-yl]propanamide (PubChem CID 91686842) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is 3-[5-(3-chloro-2-methylphenyl)furan-2-yl]propanamide.

Molecular Properties

Compound Name3-[5-(3-chloro-2-methylphenyl)furan-2-yl]propanamide
PubChem CID91686842
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC Name3-[5-(3-chloro-2-methylphenyl)furan-2-yl]propanamide
SMILESCc1c(Cl)cccc1-c1ccc(CCC(N)=O)o1
InChIInChI=1S/C14H14ClNO2/c1-9-11(3-2-4-12(9)15)13-7-5-10(18-13)6-8-14(16)17/h2-5,7H,6,8H2,1H3,(H2,16,17)
InChIKeyLJJYIXRFSPKMMN-UHFFFAOYSA-N
XLogP3.33
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-chloro-2-methylphenyl)furan-2-yl]propanamide?
The IUPAC name of 3-[5-(3-chloro-2-methylphenyl)furan-2-yl]propanamide (CID 91686842) is 3-[5-(3-chloro-2-methylphenyl)furan-2-yl]propanamide.
What is the SMILES notation for 3-[5-(3-chloro-2-methylphenyl)furan-2-yl]propanamide?
The canonical SMILES for 3-[5-(3-chloro-2-methylphenyl)furan-2-yl]propanamide is Cc1c(Cl)cccc1-c1ccc(CCC(N)=O)o1.
What is the InChIKey of 3-[5-(3-chloro-2-methylphenyl)furan-2-yl]propanamide?
The InChIKey is LJJYIXRFSPKMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2/c1-9-11(3-2-4-12(9)15)13-7-5-10(18-13)6-8-14(16)17/h2-5,7H,6,8H2,1H3,(H2,16,17).
What are the key properties of 3-[5-(3-chloro-2-methylphenyl)furan-2-yl]propanamide?
3-[5-(3-chloro-2-methylphenyl)furan-2-yl]propanamide has a molecular weight of 263.72 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-chloro-2-methylphenyl)furan-2-yl]propanamide is sourced from PubChem (CID 91686842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).