N-(4-bromo-2-iodophenyl)-4-propoxybenzamide

C16H15BrINO2 — CID 3888317

IUPACN-(4-bromo-2-iodophenyl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc(Br)cc2I)cc1
InChIInChI=1S/C16H15BrINO2/c1-2-9-21-13-6-3-11(4-7-13)16(20)19-15-8-5-12(17)10-14(15)18/h3-8,10H,2,9H2,1H3,(H,19,20)
InChIKeyZSAUCMRCZSYDRD-UHFFFAOYSA-N
MW460.11 g/mol
LogP5.09
Rot. Bonds5

About N-(4-bromo-2-iodophenyl)-4-propoxybenzamide

N-(4-bromo-2-iodophenyl)-4-propoxybenzamide (PubChem CID 3888317) has the molecular formula C16H15BrINO2 and a molecular weight of 460.11 g/mol. Its IUPAC name is N-(4-bromo-2-iodophenyl)-4-propoxybenzamide.

Molecular Properties

Compound NameN-(4-bromo-2-iodophenyl)-4-propoxybenzamide
PubChem CID3888317
Molecular FormulaC16H15BrINO2
Molecular Weight460.11 g/mol
Exact Mass458.93
IUPAC NameN-(4-bromo-2-iodophenyl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc(Br)cc2I)cc1
InChIInChI=1S/C16H15BrINO2/c1-2-9-21-13-6-3-11(4-7-13)16(20)19-15-8-5-12(17)10-14(15)18/h3-8,10H,2,9H2,1H3,(H,19,20)
InChIKeyZSAUCMRCZSYDRD-UHFFFAOYSA-N
XLogP5.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.11
LogP ≤ 55.09
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-(4-bromo-2-chlorophenyl)-4-propoxybenzamide
CID 8863043
5-bromo-2-[(4-propoxybenzoyl)amino]benzoic acid
CID 2258349
4-bromo-N-(4-bromo-2-iodophenyl)benzamide
CID 3934518
N-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-4-propoxybenzamide
CID 17014692
N-(2,4-difluorophenyl)-4-propoxybenzamide
CID 2295357
N-(4-bromo-2-iodophenyl)-2-(4-bromophenoxy)acetamide
CID 3967654
5-bromo-2-[(4-propoxybenzoyl)carbamothioylamino]benzoic acid
CID 4513562
N-(4-bromo-2-iodophenyl)benzamide
CID 3321693
N-(2-amino-4-chlorophenyl)-4-propoxybenzamide
CID 91687642
N-(4-amino-2-chlorophenyl)-4-propoxybenzamide
CID 100829816
4-propoxy-N-[5-[(4-propoxybenzoyl)amino]naphthalen-1-yl]benzamide
CID 4939588
N-(4-bromo-2-methylphenyl)-3-propoxybenzamide
CID 2293914

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-iodophenyl)-4-propoxybenzamide?
The IUPAC name of N-(4-bromo-2-iodophenyl)-4-propoxybenzamide (CID 3888317) is N-(4-bromo-2-iodophenyl)-4-propoxybenzamide.
What is the SMILES notation for N-(4-bromo-2-iodophenyl)-4-propoxybenzamide?
The canonical SMILES for N-(4-bromo-2-iodophenyl)-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2ccc(Br)cc2I)cc1.
What is the InChIKey of N-(4-bromo-2-iodophenyl)-4-propoxybenzamide?
The InChIKey is ZSAUCMRCZSYDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrINO2/c1-2-9-21-13-6-3-11(4-7-13)16(20)19-15-8-5-12(17)10-14(15)18/h3-8,10H,2,9H2,1H3,(H,19,20).
What are the key properties of N-(4-bromo-2-iodophenyl)-4-propoxybenzamide?
N-(4-bromo-2-iodophenyl)-4-propoxybenzamide has a molecular weight of 460.11 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-iodophenyl)-4-propoxybenzamide is sourced from PubChem (CID 3888317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).