3-chloro-N-[2-(4-hydroxyphenyl)ethyl]-4-iodobenzamide

C15H13ClINO2 — CID 103738158

IUPAC3-chloro-N-[2-(4-hydroxyphenyl)ethyl]-4-iodobenzamide
SMILESO=C(NCCc1ccc(O)cc1)c1ccc(I)c(Cl)c1
InChIInChI=1S/C15H13ClINO2/c16-13-9-11(3-6-14(13)17)15(20)18-8-7-10-1-4-12(19)5-2-10/h1-6,9,19H,7-8H2,(H,18,20)
InChIKeyIKSHBNQLKIVVKB-UHFFFAOYSA-N
MW401.63 g/mol
LogP3.62
Rot. Bonds4

About 3-chloro-N-[2-(4-hydroxyphenyl)ethyl]-4-iodobenzamide

3-chloro-N-[2-(4-hydroxyphenyl)ethyl]-4-iodobenzamide (PubChem CID 103738158) has the molecular formula C15H13ClINO2 and a molecular weight of 401.63 g/mol. Its IUPAC name is 3-chloro-N-[2-(4-hydroxyphenyl)ethyl]-4-iodobenzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(4-hydroxyphenyl)ethyl]-4-iodobenzamide
PubChem CID103738158
Molecular FormulaC15H13ClINO2
Molecular Weight401.63 g/mol
Exact Mass400.97
IUPAC Name3-chloro-N-[2-(4-hydroxyphenyl)ethyl]-4-iodobenzamide
SMILESO=C(NCCc1ccc(O)cc1)c1ccc(I)c(Cl)c1
InChIInChI=1S/C15H13ClINO2/c16-13-9-11(3-6-14(13)17)15(20)18-8-7-10-1-4-12(19)5-2-10/h1-6,9,19H,7-8H2,(H,18,20)
InChIKeyIKSHBNQLKIVVKB-UHFFFAOYSA-N
XLogP3.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.63
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[2-(3,5-difluorophenyl)ethyl]-4-iodobenzamide
CID 103222067
3-chloro-4-iodo-N-(3-iodopropyl)benzamide
CID 103212807
3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-iodobenzamide
CID 106037004
2,6-dichloro-N-[2-(4-hydroxyphenyl)ethyl]pyridine-4-carboxamide
CID 61237115
3-chloro-N-(4-hydroxybutyl)-4-iodobenzamide
CID 106842281
3-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzamide
CID 61017535
N-[2-(4-hydroxyphenyl)ethyl]naphthalene-2-carboxamide
CID 6624490
3-chloro-N-(3-hydroxybutyl)-4-iodobenzamide
CID 103736317
3-chloro-N-decyl-4-iodobenzamide
CID 103222152
5-chloro-N-[2-(4-hydroxyphenyl)ethyl]-6-(methylamino)pyridine-3-carboxamide
CID 62180449
3-chloro-4-iodo-N-pent-4-ynylbenzamide
CID 103737066
3-chloro-4-iodo-N-(2-pyrrol-1-ylethyl)benzamide
CID 103737073

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(4-hydroxyphenyl)ethyl]-4-iodobenzamide?
The IUPAC name of 3-chloro-N-[2-(4-hydroxyphenyl)ethyl]-4-iodobenzamide (CID 103738158) is 3-chloro-N-[2-(4-hydroxyphenyl)ethyl]-4-iodobenzamide.
What is the SMILES notation for 3-chloro-N-[2-(4-hydroxyphenyl)ethyl]-4-iodobenzamide?
The canonical SMILES for 3-chloro-N-[2-(4-hydroxyphenyl)ethyl]-4-iodobenzamide is O=C(NCCc1ccc(O)cc1)c1ccc(I)c(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-(4-hydroxyphenyl)ethyl]-4-iodobenzamide?
The InChIKey is IKSHBNQLKIVVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClINO2/c16-13-9-11(3-6-14(13)17)15(20)18-8-7-10-1-4-12(19)5-2-10/h1-6,9,19H,7-8H2,(H,18,20).
What are the key properties of 3-chloro-N-[2-(4-hydroxyphenyl)ethyl]-4-iodobenzamide?
3-chloro-N-[2-(4-hydroxyphenyl)ethyl]-4-iodobenzamide has a molecular weight of 401.63 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(4-hydroxyphenyl)ethyl]-4-iodobenzamide is sourced from PubChem (CID 103738158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).