4-chloro-3-(furan-2-yl)-N-propan-2-ylbenzamide

C14H14ClNO2 — CID 168525765

IUPAC4-chloro-3-(furan-2-yl)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(Cl)c(-c2ccco2)c1
InChIInChI=1S/C14H14ClNO2/c1-9(2)16-14(17)10-5-6-12(15)11(8-10)13-4-3-7-18-13/h3-9H,1-2H3,(H,16,17)
InChIKeyIVWBSAZRVLUVEJ-UHFFFAOYSA-N
MW263.72 g/mol
LogP3.74
Rot. Bonds3

About 4-chloro-3-(furan-2-yl)-N-propan-2-ylbenzamide

4-chloro-3-(furan-2-yl)-N-propan-2-ylbenzamide (PubChem CID 168525765) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is 4-chloro-3-(furan-2-yl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-chloro-3-(furan-2-yl)-N-propan-2-ylbenzamide
PubChem CID168525765
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC Name4-chloro-3-(furan-2-yl)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(Cl)c(-c2ccco2)c1
InChIInChI=1S/C14H14ClNO2/c1-9(2)16-14(17)10-5-6-12(15)11(8-10)13-4-3-7-18-13/h3-9H,1-2H3,(H,16,17)
InChIKeyIVWBSAZRVLUVEJ-UHFFFAOYSA-N
XLogP3.74
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dichloro-N-[(1S)-1-(furan-2-yl)ethyl]benzamide
CID 7995956
3-(furan-2-yl)-4-methyl-N-(2-methylpropyl)benzamide
CID 168525107
2-chloro-5-(propan-2-ylcarbamoyl)benzenesulfinic acid
CID 118965941
4-bromo-3-chloro-N-[1-(furan-2-yl)ethyl]benzamide
CID 80965940
3-chloro-N-propan-2-ylbenzamide
CID 669184
4-chloro-3-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide
CID 100786469
4-chloro-N-propan-2-ylbenzamide
CID 24045
3-bromo-4-chloro-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 107999462
2-(furan-2-yl)-N-[4-(propan-2-ylcarbamoyl)phenyl]quinoline-4-carboxamide
CID 55864663
4-chloro-3-(dimethylsulfamoyl)-N-propan-2-ylbenzamide
CID 34234138
2-[(4-tert-butylbenzoyl)amino]-4-chloro-5-(furan-2-yl)benzoic acid
CID 72710540
5-(furan-2-yl)-N-[2-(propan-2-ylcarbamoyl)phenyl]-1H-pyrazole-3-carboxamide
CID 34564904

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(furan-2-yl)-N-propan-2-ylbenzamide?
The IUPAC name of 4-chloro-3-(furan-2-yl)-N-propan-2-ylbenzamide (CID 168525765) is 4-chloro-3-(furan-2-yl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-chloro-3-(furan-2-yl)-N-propan-2-ylbenzamide?
The canonical SMILES for 4-chloro-3-(furan-2-yl)-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(Cl)c(-c2ccco2)c1.
What is the InChIKey of 4-chloro-3-(furan-2-yl)-N-propan-2-ylbenzamide?
The InChIKey is IVWBSAZRVLUVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2/c1-9(2)16-14(17)10-5-6-12(15)11(8-10)13-4-3-7-18-13/h3-9H,1-2H3,(H,16,17).
What are the key properties of 4-chloro-3-(furan-2-yl)-N-propan-2-ylbenzamide?
4-chloro-3-(furan-2-yl)-N-propan-2-ylbenzamide has a molecular weight of 263.72 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(furan-2-yl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 168525765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).