3-chloro-4-[[1-(furan-2-yl)propan-2-ylamino]methyl]benzamide

C15H17ClN2O2 — CID 102664181

IUPAC3-chloro-4-[[1-(furan-2-yl)propan-2-ylamino]methyl]benzamide
SMILESCC(Cc1ccco1)NCc1ccc(C(N)=O)cc1Cl
InChIInChI=1S/C15H17ClN2O2/c1-10(7-13-3-2-6-20-13)18-9-12-5-4-11(15(17)19)8-14(12)16/h2-6,8,10,18H,7,9H2,1H3,(H2,17,19)
InChIKeyOEEQYVDHBIQIIH-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.75
Rot. Bonds6

About 3-chloro-4-[[1-(furan-2-yl)propan-2-ylamino]methyl]benzamide

3-chloro-4-[[1-(furan-2-yl)propan-2-ylamino]methyl]benzamide (PubChem CID 102664181) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 3-chloro-4-[[1-(furan-2-yl)propan-2-ylamino]methyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-[[1-(furan-2-yl)propan-2-ylamino]methyl]benzamide
PubChem CID102664181
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name3-chloro-4-[[1-(furan-2-yl)propan-2-ylamino]methyl]benzamide
SMILESCC(Cc1ccco1)NCc1ccc(C(N)=O)cc1Cl
InChIInChI=1S/C15H17ClN2O2/c1-10(7-13-3-2-6-20-13)18-9-12-5-4-11(15(17)19)8-14(12)16/h2-6,8,10,18H,7,9H2,1H3,(H2,17,19)
InChIKeyOEEQYVDHBIQIIH-UHFFFAOYSA-N
XLogP2.75
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-[1-(furan-2-yl)propan-2-ylamino]benzamide
CID 63356356
3-chloro-4-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]benzamide
CID 102664727
4-fluoro-3-[1-(furan-2-yl)propan-2-ylamino]benzamide
CID 63083935
4-[(but-3-en-2-ylamino)methyl]-3-chlorobenzamide
CID 102665091
3-chloro-4-[[1-(4-chlorophenyl)ethylamino]methyl]benzamide
CID 102664284
3-chloro-4-[(1-hydroxybutan-2-ylamino)methyl]benzamide
CID 102664053
methyl 2-[2-[[1-(furan-2-yl)propan-2-ylamino]methyl]phenyl]acetate
CID 115461702
N-[(3,5-dichlorophenyl)methyl]-1-(furan-2-yl)propan-2-amine
CID 54920089
2-chloro-4-[1-(furan-2-yl)propan-2-ylamino]benzamide
CID 63085843
4-chloro-3-(furan-2-ylmethylamino)benzamide
CID 43679459
3-chloro-4-[(1-cyclobutylethylamino)methyl]benzamide
CID 102665133
2-[[1-(furan-2-yl)propan-2-ylamino]methyl]-5-methoxyaniline
CID 115413933

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[[1-(furan-2-yl)propan-2-ylamino]methyl]benzamide?
The IUPAC name of 3-chloro-4-[[1-(furan-2-yl)propan-2-ylamino]methyl]benzamide (CID 102664181) is 3-chloro-4-[[1-(furan-2-yl)propan-2-ylamino]methyl]benzamide.
What is the SMILES notation for 3-chloro-4-[[1-(furan-2-yl)propan-2-ylamino]methyl]benzamide?
The canonical SMILES for 3-chloro-4-[[1-(furan-2-yl)propan-2-ylamino]methyl]benzamide is CC(Cc1ccco1)NCc1ccc(C(N)=O)cc1Cl.
What is the InChIKey of 3-chloro-4-[[1-(furan-2-yl)propan-2-ylamino]methyl]benzamide?
The InChIKey is OEEQYVDHBIQIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-10(7-13-3-2-6-20-13)18-9-12-5-4-11(15(17)19)8-14(12)16/h2-6,8,10,18H,7,9H2,1H3,(H2,17,19).
What are the key properties of 3-chloro-4-[[1-(furan-2-yl)propan-2-ylamino]methyl]benzamide?
3-chloro-4-[[1-(furan-2-yl)propan-2-ylamino]methyl]benzamide has a molecular weight of 292.77 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[[1-(furan-2-yl)propan-2-ylamino]methyl]benzamide is sourced from PubChem (CID 102664181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).