3,4-dichloro-N-[1-(furan-2-yl)propan-2-yl]benzamide

C14H13Cl2NO2 — CID 47168846

IUPAC3,4-dichloro-N-[1-(furan-2-yl)propan-2-yl]benzamide
SMILESCC(Cc1ccco1)NC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H13Cl2NO2/c1-9(7-11-3-2-6-19-11)17-14(18)10-4-5-12(15)13(16)8-10/h2-6,8-9H,7H2,1H3,(H,17,18)
InChIKeyQSVFGLFZMRRNPO-UHFFFAOYSA-N
MW298.17 g/mol
LogP3.95
Rot. Bonds4

About 3,4-dichloro-N-[1-(furan-2-yl)propan-2-yl]benzamide

3,4-dichloro-N-[1-(furan-2-yl)propan-2-yl]benzamide (PubChem CID 47168846) has the molecular formula C14H13Cl2NO2 and a molecular weight of 298.17 g/mol. Its IUPAC name is 3,4-dichloro-N-[1-(furan-2-yl)propan-2-yl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[1-(furan-2-yl)propan-2-yl]benzamide
PubChem CID47168846
Molecular FormulaC14H13Cl2NO2
Molecular Weight298.17 g/mol
Exact Mass297.03
IUPAC Name3,4-dichloro-N-[1-(furan-2-yl)propan-2-yl]benzamide
SMILESCC(Cc1ccco1)NC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H13Cl2NO2/c1-9(7-11-3-2-6-19-11)17-14(18)10-4-5-12(15)13(16)8-10/h2-6,8-9H,7H2,1H3,(H,17,18)
InChIKeyQSVFGLFZMRRNPO-UHFFFAOYSA-N
XLogP3.95
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[1-(furan-2-yl)propan-2-yl]benzamide?
The IUPAC name of 3,4-dichloro-N-[1-(furan-2-yl)propan-2-yl]benzamide (CID 47168846) is 3,4-dichloro-N-[1-(furan-2-yl)propan-2-yl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[1-(furan-2-yl)propan-2-yl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[1-(furan-2-yl)propan-2-yl]benzamide is CC(Cc1ccco1)NC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[1-(furan-2-yl)propan-2-yl]benzamide?
The InChIKey is QSVFGLFZMRRNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO2/c1-9(7-11-3-2-6-19-11)17-14(18)10-4-5-12(15)13(16)8-10/h2-6,8-9H,7H2,1H3,(H,17,18).
What are the key properties of 3,4-dichloro-N-[1-(furan-2-yl)propan-2-yl]benzamide?
3,4-dichloro-N-[1-(furan-2-yl)propan-2-yl]benzamide has a molecular weight of 298.17 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[1-(furan-2-yl)propan-2-yl]benzamide is sourced from PubChem (CID 47168846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).