4-chloro-3-(furan-2-ylmethylamino)benzamide

C12H11ClN2O2 — CID 43679459

IUPAC4-chloro-3-(furan-2-ylmethylamino)benzamide
SMILESNC(=O)c1ccc(Cl)c(NCc2ccco2)c1
InChIInChI=1S/C12H11ClN2O2/c13-10-4-3-8(12(14)16)6-11(10)15-7-9-2-1-5-17-9/h1-6,15H,7H2,(H2,14,16)
InChIKeyWITKJZMKCIZGEH-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.64
Rot. Bonds4

About 4-chloro-3-(furan-2-ylmethylamino)benzamide

4-chloro-3-(furan-2-ylmethylamino)benzamide (PubChem CID 43679459) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 4-chloro-3-(furan-2-ylmethylamino)benzamide.

Molecular Properties

Compound Name4-chloro-3-(furan-2-ylmethylamino)benzamide
PubChem CID43679459
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name4-chloro-3-(furan-2-ylmethylamino)benzamide
SMILESNC(=O)c1ccc(Cl)c(NCc2ccco2)c1
InChIInChI=1S/C12H11ClN2O2/c13-10-4-3-8(12(14)16)6-11(10)15-7-9-2-1-5-17-9/h1-6,15H,7H2,(H2,14,16)
InChIKeyWITKJZMKCIZGEH-UHFFFAOYSA-N
XLogP2.64
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(furan-2-ylmethylamino)-4-methoxybenzamide
CID 43735328
2,5-dichloro-N-(furan-2-ylmethyl)aniline
CID 18778634
3-chloro-4-(furan-2-ylmethylamino)benzenecarbothioamide
CID 55181413
4-chloro-3-[(2,3-dichlorophenyl)methylamino]benzamide
CID 43679408
3-(1-benzofuran-3-ylmethylamino)-4-chlorobenzamide
CID 80700592
4-chloro-3-(furan-2-ylmethylamino)-5-methylsulfonylbenzoic acid
CID 54413007
4-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 27649984
4-chloro-3-[(3,5-difluoro-4-hydroxyphenyl)methylamino]benzamide
CID 79881862
4-chloro-3-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide
CID 115951120
methyl 4-chloro-3-[[3-(furan-2-ylmethylamino)-1,2,4-triazin-5-yl]amino]benzoate
CID 112947469
3-chloro-4-[[1-(furan-2-yl)propan-2-ylamino]methyl]benzamide
CID 102664181
3-(carbamothioylamino)-4-chlorobenzamide
CID 86665570

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(furan-2-ylmethylamino)benzamide?
The IUPAC name of 4-chloro-3-(furan-2-ylmethylamino)benzamide (CID 43679459) is 4-chloro-3-(furan-2-ylmethylamino)benzamide.
What is the SMILES notation for 4-chloro-3-(furan-2-ylmethylamino)benzamide?
The canonical SMILES for 4-chloro-3-(furan-2-ylmethylamino)benzamide is NC(=O)c1ccc(Cl)c(NCc2ccco2)c1.
What is the InChIKey of 4-chloro-3-(furan-2-ylmethylamino)benzamide?
The InChIKey is WITKJZMKCIZGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c13-10-4-3-8(12(14)16)6-11(10)15-7-9-2-1-5-17-9/h1-6,15H,7H2,(H2,14,16).
What are the key properties of 4-chloro-3-(furan-2-ylmethylamino)benzamide?
4-chloro-3-(furan-2-ylmethylamino)benzamide has a molecular weight of 250.69 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(furan-2-ylmethylamino)benzamide is sourced from PubChem (CID 43679459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).