N-(1-benzofuran-6-ylmethyl)-5-chloro-2-iodobenzamide

C16H11ClINO2 — CID 166212980

IUPACN-(1-benzofuran-6-ylmethyl)-5-chloro-2-iodobenzamide
SMILESO=C(NCc1ccc2ccoc2c1)c1cc(Cl)ccc1I
InChIInChI=1S/C16H11ClINO2/c17-12-3-4-14(18)13(8-12)16(20)19-9-10-1-2-11-5-6-21-15(11)7-10/h1-8H,9H2,(H,19,20)
InChIKeyBDGMXLJWFCIZJN-UHFFFAOYSA-N
MW411.63 g/mol
LogP4.62
Rot. Bonds3

About N-(1-benzofuran-6-ylmethyl)-5-chloro-2-iodobenzamide

N-(1-benzofuran-6-ylmethyl)-5-chloro-2-iodobenzamide (PubChem CID 166212980) has the molecular formula C16H11ClINO2 and a molecular weight of 411.63 g/mol. Its IUPAC name is N-(1-benzofuran-6-ylmethyl)-5-chloro-2-iodobenzamide.

Molecular Properties

Compound NameN-(1-benzofuran-6-ylmethyl)-5-chloro-2-iodobenzamide
PubChem CID166212980
Molecular FormulaC16H11ClINO2
Molecular Weight411.63 g/mol
Exact Mass410.95
IUPAC NameN-(1-benzofuran-6-ylmethyl)-5-chloro-2-iodobenzamide
SMILESO=C(NCc1ccc2ccoc2c1)c1cc(Cl)ccc1I
InChIInChI=1S/C16H11ClINO2/c17-12-3-4-14(18)13(8-12)16(20)19-9-10-1-2-11-5-6-21-15(11)7-10/h1-8H,9H2,(H,19,20)
InChIKeyBDGMXLJWFCIZJN-UHFFFAOYSA-N
XLogP4.62
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.63
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(1-benzofuran-6-ylmethyl)-2-iodobenzamide
CID 166213000
4-[[(5-chloro-2-iodobenzoyl)amino]methyl]benzoic acid
CID 103790087
5-chloro-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-iodobenzamide
CID 46483206
5-chloro-N-[[4-(ethoxymethyl)phenyl]methyl]-2-iodobenzamide
CID 46482881
5-chloro-2-iodo-N-[[3-(methanesulfonamido)phenyl]methyl]benzamide
CID 46453145
5-chloro-2-iodo-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 104579077
5-chloro-2-iodo-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 47227109
5-chloro-2-iodo-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]benzamide
CID 55690439
5-chloro-2-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 113225215
5-chloro-2-iodo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 49082320
methyl 2-[(5-chloro-2-iodobenzoyl)amino]acetate
CID 47190528
2-bromo-N-[(4-chlorophenyl)methyl]furan-3-carboxamide
CID 106852538

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-6-ylmethyl)-5-chloro-2-iodobenzamide?
The IUPAC name of N-(1-benzofuran-6-ylmethyl)-5-chloro-2-iodobenzamide (CID 166212980) is N-(1-benzofuran-6-ylmethyl)-5-chloro-2-iodobenzamide.
What is the SMILES notation for N-(1-benzofuran-6-ylmethyl)-5-chloro-2-iodobenzamide?
The canonical SMILES for N-(1-benzofuran-6-ylmethyl)-5-chloro-2-iodobenzamide is O=C(NCc1ccc2ccoc2c1)c1cc(Cl)ccc1I.
What is the InChIKey of N-(1-benzofuran-6-ylmethyl)-5-chloro-2-iodobenzamide?
The InChIKey is BDGMXLJWFCIZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClINO2/c17-12-3-4-14(18)13(8-12)16(20)19-9-10-1-2-11-5-6-21-15(11)7-10/h1-8H,9H2,(H,19,20).
What are the key properties of N-(1-benzofuran-6-ylmethyl)-5-chloro-2-iodobenzamide?
N-(1-benzofuran-6-ylmethyl)-5-chloro-2-iodobenzamide has a molecular weight of 411.63 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-6-ylmethyl)-5-chloro-2-iodobenzamide is sourced from PubChem (CID 166212980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).