3-(1-benzofuran-3-ylmethylamino)-4-chlorobenzamide

C16H13ClN2O2 — CID 80700592

IUPAC3-(1-benzofuran-3-ylmethylamino)-4-chlorobenzamide
SMILESNC(=O)c1ccc(Cl)c(NCc2coc3ccccc23)c1
InChIInChI=1S/C16H13ClN2O2/c17-13-6-5-10(16(18)20)7-14(13)19-8-11-9-21-15-4-2-1-3-12(11)15/h1-7,9,19H,8H2,(H2,18,20)
InChIKeyTWNPBZRSTQJIMT-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.80
Rot. Bonds4

About 3-(1-benzofuran-3-ylmethylamino)-4-chlorobenzamide

3-(1-benzofuran-3-ylmethylamino)-4-chlorobenzamide (PubChem CID 80700592) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 3-(1-benzofuran-3-ylmethylamino)-4-chlorobenzamide.

Molecular Properties

Compound Name3-(1-benzofuran-3-ylmethylamino)-4-chlorobenzamide
PubChem CID80700592
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name3-(1-benzofuran-3-ylmethylamino)-4-chlorobenzamide
SMILESNC(=O)c1ccc(Cl)c(NCc2coc3ccccc23)c1
InChIInChI=1S/C16H13ClN2O2/c17-13-6-5-10(16(18)20)7-14(13)19-8-11-9-21-15-4-2-1-3-12(11)15/h1-7,9,19H,8H2,(H2,18,20)
InChIKeyTWNPBZRSTQJIMT-UHFFFAOYSA-N
XLogP3.80
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzofuran-3-ylmethyl)-2-chloro-5-methylaniline
CID 107630587
N-(1-benzofuran-3-ylmethyl)-2-chloro-5-fluoroaniline
CID 107527339
N-(1-benzofuran-3-ylmethyl)-2-chloro-5-methoxyaniline
CID 80701310
4-chloro-3-[(2,3-dichlorophenyl)methylamino]benzamide
CID 43679408
2-[2-(1-benzofuran-3-ylmethylamino)phenyl]acetamide
CID 80700430
4-chloro-3-(furan-2-ylmethylamino)benzamide
CID 43679459
N-(1-benzofuran-3-ylmethyl)-3-chloro-2-methylaniline
CID 80701190
4-chloro-3-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide
CID 115951120
3-(1-benzofuran-3-ylmethylamino)benzoic acid
CID 80701632
4-chloro-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide
CID 43679573
methyl 2-(1-benzofuran-3-ylmethylamino)benzoate
CID 80701199
4-chloro-3-[(3-chloro-4-methylphenyl)methylamino]benzamide
CID 106816294

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-3-ylmethylamino)-4-chlorobenzamide?
The IUPAC name of 3-(1-benzofuran-3-ylmethylamino)-4-chlorobenzamide (CID 80700592) is 3-(1-benzofuran-3-ylmethylamino)-4-chlorobenzamide.
What is the SMILES notation for 3-(1-benzofuran-3-ylmethylamino)-4-chlorobenzamide?
The canonical SMILES for 3-(1-benzofuran-3-ylmethylamino)-4-chlorobenzamide is NC(=O)c1ccc(Cl)c(NCc2coc3ccccc23)c1.
What is the InChIKey of 3-(1-benzofuran-3-ylmethylamino)-4-chlorobenzamide?
The InChIKey is TWNPBZRSTQJIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c17-13-6-5-10(16(18)20)7-14(13)19-8-11-9-21-15-4-2-1-3-12(11)15/h1-7,9,19H,8H2,(H2,18,20).
What are the key properties of 3-(1-benzofuran-3-ylmethylamino)-4-chlorobenzamide?
3-(1-benzofuran-3-ylmethylamino)-4-chlorobenzamide has a molecular weight of 300.75 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-3-ylmethylamino)-4-chlorobenzamide is sourced from PubChem (CID 80700592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).