3-iodo-N-[3-(3-methoxypropylcarbamoyl)phenyl]-4-methylbenzamide

C19H21IN2O3 — CID 26160147

IUPAC3-iodo-N-[3-(3-methoxypropylcarbamoyl)phenyl]-4-methylbenzamide
SMILESCOCCCNC(=O)c1cccc(NC(=O)c2ccc(C)c(I)c2)c1
InChIInChI=1S/C19H21IN2O3/c1-13-7-8-15(12-17(13)20)19(24)22-16-6-3-5-14(11-16)18(23)21-9-4-10-25-2/h3,5-8,11-12H,4,9-10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyGDTAFAGUUYMOSB-UHFFFAOYSA-N
MW452.29 g/mol
LogP3.62
Rot. Bonds7

About 3-iodo-N-[3-(3-methoxypropylcarbamoyl)phenyl]-4-methylbenzamide

3-iodo-N-[3-(3-methoxypropylcarbamoyl)phenyl]-4-methylbenzamide (PubChem CID 26160147) has the molecular formula C19H21IN2O3 and a molecular weight of 452.29 g/mol. Its IUPAC name is 3-iodo-N-[3-(3-methoxypropylcarbamoyl)phenyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-iodo-N-[3-(3-methoxypropylcarbamoyl)phenyl]-4-methylbenzamide
PubChem CID26160147
Molecular FormulaC19H21IN2O3
Molecular Weight452.29 g/mol
Exact Mass452.06
IUPAC Name3-iodo-N-[3-(3-methoxypropylcarbamoyl)phenyl]-4-methylbenzamide
SMILESCOCCCNC(=O)c1cccc(NC(=O)c2ccc(C)c(I)c2)c1
InChIInChI=1S/C19H21IN2O3/c1-13-7-8-15(12-17(13)20)19(24)22-16-6-3-5-14(11-16)18(23)21-9-4-10-25-2/h3,5-8,11-12H,4,9-10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyGDTAFAGUUYMOSB-UHFFFAOYSA-N
XLogP3.62
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.29
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-[(4-ethoxybenzoyl)amino]-N-(3-methoxypropyl)benzamide
CID 26160199
N-(3-carbamoylphenyl)-3-iodo-4-methylbenzamide
CID 26160460
ethyl N-[3-(3-methoxypropylcarbamoyl)phenyl]carbamate
CID 29202825
N-[3-(dimethylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
CID 17231812
3-bromo-N-[4-(3-methoxypropylcarbamoyl)phenyl]benzamide
CID 54790791
N-(3-methoxypropyl)-3-[(3-nitrobenzoyl)amino]benzamide
CID 26160071
N-(3-butoxyphenyl)-3-iodo-4-methylbenzamide
CID 17095050
N-(3-ethoxypropyl)-3-[(3-iodobenzoyl)amino]benzamide
CID 55801744
N-[3-(tert-butylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
CID 28639414
4-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54836483
N-(3-methoxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 46437560
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54831834

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-[3-(3-methoxypropylcarbamoyl)phenyl]-4-methylbenzamide?
The IUPAC name of 3-iodo-N-[3-(3-methoxypropylcarbamoyl)phenyl]-4-methylbenzamide (CID 26160147) is 3-iodo-N-[3-(3-methoxypropylcarbamoyl)phenyl]-4-methylbenzamide.
What is the SMILES notation for 3-iodo-N-[3-(3-methoxypropylcarbamoyl)phenyl]-4-methylbenzamide?
The canonical SMILES for 3-iodo-N-[3-(3-methoxypropylcarbamoyl)phenyl]-4-methylbenzamide is COCCCNC(=O)c1cccc(NC(=O)c2ccc(C)c(I)c2)c1.
What is the InChIKey of 3-iodo-N-[3-(3-methoxypropylcarbamoyl)phenyl]-4-methylbenzamide?
The InChIKey is GDTAFAGUUYMOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21IN2O3/c1-13-7-8-15(12-17(13)20)19(24)22-16-6-3-5-14(11-16)18(23)21-9-4-10-25-2/h3,5-8,11-12H,4,9-10H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 3-iodo-N-[3-(3-methoxypropylcarbamoyl)phenyl]-4-methylbenzamide?
3-iodo-N-[3-(3-methoxypropylcarbamoyl)phenyl]-4-methylbenzamide has a molecular weight of 452.29 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-[3-(3-methoxypropylcarbamoyl)phenyl]-4-methylbenzamide is sourced from PubChem (CID 26160147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).