N-(3-butoxyphenyl)-3-iodo-4-methylbenzamide

C18H20INO2 — CID 17095050

IUPACN-(3-butoxyphenyl)-3-iodo-4-methylbenzamide
SMILESCCCCOc1cccc(NC(=O)c2ccc(C)c(I)c2)c1
InChIInChI=1S/C18H20INO2/c1-3-4-10-22-16-7-5-6-15(12-16)20-18(21)14-9-8-13(2)17(19)11-14/h5-9,11-12H,3-4,10H2,1-2H3,(H,20,21)
InChIKeyMDLBTNQOHSVGLM-UHFFFAOYSA-N
MW409.27 g/mol
LogP5.03
Rot. Bonds6

About N-(3-butoxyphenyl)-3-iodo-4-methylbenzamide

N-(3-butoxyphenyl)-3-iodo-4-methylbenzamide (PubChem CID 17095050) has the molecular formula C18H20INO2 and a molecular weight of 409.27 g/mol. Its IUPAC name is N-(3-butoxyphenyl)-3-iodo-4-methylbenzamide.

Molecular Properties

Compound NameN-(3-butoxyphenyl)-3-iodo-4-methylbenzamide
PubChem CID17095050
Molecular FormulaC18H20INO2
Molecular Weight409.27 g/mol
Exact Mass409.05
IUPAC NameN-(3-butoxyphenyl)-3-iodo-4-methylbenzamide
SMILESCCCCOc1cccc(NC(=O)c2ccc(C)c(I)c2)c1
InChIInChI=1S/C18H20INO2/c1-3-4-10-22-16-7-5-6-15(12-16)20-18(21)14-9-8-13(2)17(19)11-14/h5-9,11-12H,3-4,10H2,1-2H3,(H,20,21)
InChIKeyMDLBTNQOHSVGLM-UHFFFAOYSA-N
XLogP5.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.27
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-N-(3-hexoxyphenyl)benzamide
CID 17094812
3-butoxy-N-(3-ethoxyphenyl)benzamide
CID 17098184
1-N,4-N-bis(3-hexoxyphenyl)benzene-1,4-dicarboxamide
CID 17094971
N-(3-heptoxyphenyl)-4-methylbenzamide
CID 17138098
3-[(3-butoxybenzoyl)amino]-N-phenylbenzamide
CID 54781128
3-[(3-butoxybenzoyl)amino]-N-propylbenzamide
CID 17222720
4-hexoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123562
4-hydroxy-N-(3-pentoxyphenyl)benzamide
CID 54418426
3-butoxy-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide
CID 17232374
3-iodo-N-[3-(3-methoxypropylcarbamoyl)phenyl]-4-methylbenzamide
CID 26160147
N-[3-(2-phenoxyethoxy)phenyl]-4-propoxybenzamide
CID 17123567
4-hexoxy-N-(3-methoxyphenyl)benzamide
CID 4933605

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxyphenyl)-3-iodo-4-methylbenzamide?
The IUPAC name of N-(3-butoxyphenyl)-3-iodo-4-methylbenzamide (CID 17095050) is N-(3-butoxyphenyl)-3-iodo-4-methylbenzamide.
What is the SMILES notation for N-(3-butoxyphenyl)-3-iodo-4-methylbenzamide?
The canonical SMILES for N-(3-butoxyphenyl)-3-iodo-4-methylbenzamide is CCCCOc1cccc(NC(=O)c2ccc(C)c(I)c2)c1.
What is the InChIKey of N-(3-butoxyphenyl)-3-iodo-4-methylbenzamide?
The InChIKey is MDLBTNQOHSVGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20INO2/c1-3-4-10-22-16-7-5-6-15(12-16)20-18(21)14-9-8-13(2)17(19)11-14/h5-9,11-12H,3-4,10H2,1-2H3,(H,20,21).
What are the key properties of N-(3-butoxyphenyl)-3-iodo-4-methylbenzamide?
N-(3-butoxyphenyl)-3-iodo-4-methylbenzamide has a molecular weight of 409.27 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxyphenyl)-3-iodo-4-methylbenzamide is sourced from PubChem (CID 17095050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).