2-chloro-N-(4-ethoxyphenyl)-5-iodobenzamide

C15H13ClINO2 — CID 1118900

IUPAC2-chloro-N-(4-ethoxyphenyl)-5-iodobenzamide
SMILESCCOc1ccc(NC(=O)c2cc(I)ccc2Cl)cc1
InChIInChI=1S/C15H13ClINO2/c1-2-20-12-6-4-11(5-7-12)18-15(19)13-9-10(17)3-8-14(13)16/h3-9H,2H2,1H3,(H,18,19)
InChIKeyPIFOFJPZAJNHSF-UHFFFAOYSA-N
MW401.63 g/mol
LogP4.60
Rot. Bonds4

About 2-chloro-N-(4-ethoxyphenyl)-5-iodobenzamide

2-chloro-N-(4-ethoxyphenyl)-5-iodobenzamide (PubChem CID 1118900) has the molecular formula C15H13ClINO2 and a molecular weight of 401.63 g/mol. Its IUPAC name is 2-chloro-N-(4-ethoxyphenyl)-5-iodobenzamide.

Molecular Properties

Compound Name2-chloro-N-(4-ethoxyphenyl)-5-iodobenzamide
PubChem CID1118900
Molecular FormulaC15H13ClINO2
Molecular Weight401.63 g/mol
Exact Mass400.97
IUPAC Name2-chloro-N-(4-ethoxyphenyl)-5-iodobenzamide
SMILESCCOc1ccc(NC(=O)c2cc(I)ccc2Cl)cc1
InChIInChI=1S/C15H13ClINO2/c1-2-20-12-6-4-11(5-7-12)18-15(19)13-9-10(17)3-8-14(13)16/h3-9H,2H2,1H3,(H,18,19)
InChIKeyPIFOFJPZAJNHSF-UHFFFAOYSA-N
XLogP4.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.63
LogP ≤ 54.60
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

butyl 4-[(2-chloro-5-iodobenzoyl)amino]benzoate
CID 2298823
2-chloro-5-iodo-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 1297056
2-chloro-5-hydroxy-N-(4-propoxyphenyl)benzamide
CID 106501743
3,6-dichloro-N-(4-ethoxyphenyl)pyridazine-4-carboxamide
CID 13456224
2-chloro-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-5-nitrobenzamide
CID 17147139
3-chloro-N-(4-ethoxyphenyl)-6-hydrazinylpyridine-2-carboxamide
CID 62233417
2-chloro-N-[3-chloro-4-[4-(4-propoxybenzoyl)piperazin-1-yl]phenyl]-5-iodobenzamide
CID 21172300
N-(4-ethoxyphenyl)-2,4,5-trimethoxybenzamide
CID 912703
N-(3-amino-4-chlorophenyl)-4-ethoxybenzamide
CID 18071163
2-bromo-N-(3-ethoxyphenyl)-5-iodobenzamide
CID 103989258
N-(4-ethoxyphenyl)-2-methylbenzamide
CID 710558
N-(4-ethoxyphenyl)-2,4-dimethoxybenzamide
CID 669318

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-ethoxyphenyl)-5-iodobenzamide?
The IUPAC name of 2-chloro-N-(4-ethoxyphenyl)-5-iodobenzamide (CID 1118900) is 2-chloro-N-(4-ethoxyphenyl)-5-iodobenzamide.
What is the SMILES notation for 2-chloro-N-(4-ethoxyphenyl)-5-iodobenzamide?
The canonical SMILES for 2-chloro-N-(4-ethoxyphenyl)-5-iodobenzamide is CCOc1ccc(NC(=O)c2cc(I)ccc2Cl)cc1.
What is the InChIKey of 2-chloro-N-(4-ethoxyphenyl)-5-iodobenzamide?
The InChIKey is PIFOFJPZAJNHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClINO2/c1-2-20-12-6-4-11(5-7-12)18-15(19)13-9-10(17)3-8-14(13)16/h3-9H,2H2,1H3,(H,18,19).
What are the key properties of 2-chloro-N-(4-ethoxyphenyl)-5-iodobenzamide?
2-chloro-N-(4-ethoxyphenyl)-5-iodobenzamide has a molecular weight of 401.63 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-ethoxyphenyl)-5-iodobenzamide is sourced from PubChem (CID 1118900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).