2-chloro-N-[[5-(furan-2-yl)furan-2-yl]methyl]benzamide

C16H12ClNO3 — CID 119101854

IUPAC2-chloro-N-[[5-(furan-2-yl)furan-2-yl]methyl]benzamide
SMILESO=C(NCc1ccc(-c2ccco2)o1)c1ccccc1Cl
InChIInChI=1S/C16H12ClNO3/c17-13-5-2-1-4-12(13)16(19)18-10-11-7-8-15(21-11)14-6-3-9-20-14/h1-9H,10H2,(H,18,19)
InChIKeyAQRTVGCUKSCVMR-UHFFFAOYSA-N
MW301.73 g/mol
LogP4.12
Rot. Bonds4

About 2-chloro-N-[[5-(furan-2-yl)furan-2-yl]methyl]benzamide

2-chloro-N-[[5-(furan-2-yl)furan-2-yl]methyl]benzamide (PubChem CID 119101854) has the molecular formula C16H12ClNO3 and a molecular weight of 301.73 g/mol. Its IUPAC name is 2-chloro-N-[[5-(furan-2-yl)furan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[[5-(furan-2-yl)furan-2-yl]methyl]benzamide
PubChem CID119101854
Molecular FormulaC16H12ClNO3
Molecular Weight301.73 g/mol
Exact Mass301.05
IUPAC Name2-chloro-N-[[5-(furan-2-yl)furan-2-yl]methyl]benzamide
SMILESO=C(NCc1ccc(-c2ccco2)o1)c1ccccc1Cl
InChIInChI=1S/C16H12ClNO3/c17-13-5-2-1-4-12(13)16(19)18-10-11-7-8-15(21-11)14-6-3-9-20-14/h1-9H,10H2,(H,18,19)
InChIKeyAQRTVGCUKSCVMR-UHFFFAOYSA-N
XLogP4.12
TPSA55.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzamide
CID 119101790
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-chlorobenzamide
CID 9204124
2-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731650
N-[[5-(furan-2-yl)furan-2-yl]methyl]-1-benzothiophene-2-carboxamide
CID 121019189
1-ethyl-3-[[5-(furan-2-yl)furan-2-yl]methyl]urea
CID 122244089
2-cyclopropyl-N-[[5-(furan-2-yl)furan-2-yl]methyl]acetamide
CID 122160322
[1-[[5-(furan-2-yl)furan-2-yl]methylamino]-2-methyl-1-oxopropan-2-yl] acetate
CID 122161310
N-[[5-(furan-2-yl)furan-2-yl]methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 119101900
2-chloro-N-(furan-2-ylmethyl)-4-nitrobenzamide
CID 773667
2,5-dichloro-N-(furan-2-ylmethyl)benzamide
CID 690467
2,4-dichloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 4938422
2-iodo-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzamide
CID 122264339

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[5-(furan-2-yl)furan-2-yl]methyl]benzamide?
The IUPAC name of 2-chloro-N-[[5-(furan-2-yl)furan-2-yl]methyl]benzamide (CID 119101854) is 2-chloro-N-[[5-(furan-2-yl)furan-2-yl]methyl]benzamide.
What is the SMILES notation for 2-chloro-N-[[5-(furan-2-yl)furan-2-yl]methyl]benzamide?
The canonical SMILES for 2-chloro-N-[[5-(furan-2-yl)furan-2-yl]methyl]benzamide is O=C(NCc1ccc(-c2ccco2)o1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[[5-(furan-2-yl)furan-2-yl]methyl]benzamide?
The InChIKey is AQRTVGCUKSCVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO3/c17-13-5-2-1-4-12(13)16(19)18-10-11-7-8-15(21-11)14-6-3-9-20-14/h1-9H,10H2,(H,18,19).
What are the key properties of 2-chloro-N-[[5-(furan-2-yl)furan-2-yl]methyl]benzamide?
2-chloro-N-[[5-(furan-2-yl)furan-2-yl]methyl]benzamide has a molecular weight of 301.73 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[5-(furan-2-yl)furan-2-yl]methyl]benzamide is sourced from PubChem (CID 119101854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).