N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-iodobenzamide

C18H13ClINO3 — CID 28667348

IUPACN-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-iodobenzamide
SMILESO=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1cccc(I)c1
InChIInChI=1S/C18H13ClINO3/c19-16-9-13(21-18(23)11-2-1-3-12(20)8-11)4-6-15(16)17-7-5-14(10-22)24-17/h1-9,22H,10H2,(H,21,23)
InChIKeySTCPESBXLCGCIQ-UHFFFAOYSA-N
MW453.66 g/mol
LogP4.95
Rot. Bonds4

About N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-iodobenzamide

N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-iodobenzamide (PubChem CID 28667348) has the molecular formula C18H13ClINO3 and a molecular weight of 453.66 g/mol. Its IUPAC name is N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-iodobenzamide.

Molecular Properties

Compound NameN-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-iodobenzamide
PubChem CID28667348
Molecular FormulaC18H13ClINO3
Molecular Weight453.66 g/mol
Exact Mass452.96
IUPAC NameN-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-iodobenzamide
SMILESO=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1cccc(I)c1
InChIInChI=1S/C18H13ClINO3/c19-16-9-13(21-18(23)11-2-1-3-12(20)8-11)4-6-15(16)17-7-5-14(10-22)24-17/h1-9,22H,10H2,(H,21,23)
InChIKeySTCPESBXLCGCIQ-UHFFFAOYSA-N
XLogP4.95
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.66
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide
CID 28667689
3-chloro-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]benzamide
CID 28667496
N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 28669866
N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-nitrobenzamide
CID 28671192
3-bromo-N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-4-ethoxybenzamide
CID 28673589
N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-propan-2-yloxybenzamide
CID 28672414
N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3,5-dichlorophenyl)furan-2-carboxamide
CID 28670148
N-[[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3,4-dimethoxybenzamide
CID 28688490
N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]thiophene-2-carboxamide
CID 28669155
N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-3-methoxybenzamide
CID 28672057
2-chloro-N-[3-[(3-iodobenzoyl)amino]phenyl]benzamide
CID 1097784
N-[[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-4-propan-2-yloxybenzamide
CID 28688010

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-iodobenzamide?
The IUPAC name of N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-iodobenzamide (CID 28667348) is N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-iodobenzamide.
What is the SMILES notation for N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-iodobenzamide?
The canonical SMILES for N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-iodobenzamide is O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1cccc(I)c1.
What is the InChIKey of N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-iodobenzamide?
The InChIKey is STCPESBXLCGCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClINO3/c19-16-9-13(21-18(23)11-2-1-3-12(20)8-11)4-6-15(16)17-7-5-14(10-22)24-17/h1-9,22H,10H2,(H,21,23).
What are the key properties of N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-iodobenzamide?
N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-iodobenzamide has a molecular weight of 453.66 g/mol, XLogP of 4.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-iodobenzamide is sourced from PubChem (CID 28667348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).