3-iodo-4-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide

C18H19IN2O3 — CID 17218730

IUPAC3-iodo-4-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide
SMILESCCCNC(=O)c1ccc(NC(=O)c2ccc(OC)c(I)c2)cc1
InChIInChI=1S/C18H19IN2O3/c1-3-10-20-17(22)12-4-7-14(8-5-12)21-18(23)13-6-9-16(24-2)15(19)11-13/h4-9,11H,3,10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyYJNXAJKHPTYIGQ-UHFFFAOYSA-N
MW438.27 g/mol
LogP3.69
Rot. Bonds6

About 3-iodo-4-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide

3-iodo-4-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide (PubChem CID 17218730) has the molecular formula C18H19IN2O3 and a molecular weight of 438.27 g/mol. Its IUPAC name is 3-iodo-4-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-iodo-4-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide
PubChem CID17218730
Molecular FormulaC18H19IN2O3
Molecular Weight438.27 g/mol
Exact Mass438.04
IUPAC Name3-iodo-4-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide
SMILESCCCNC(=O)c1ccc(NC(=O)c2ccc(OC)c(I)c2)cc1
InChIInChI=1S/C18H19IN2O3/c1-3-10-20-17(22)12-4-7-14(8-5-12)21-18(23)13-6-9-16(24-2)15(19)11-13/h4-9,11H,3,10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyYJNXAJKHPTYIGQ-UHFFFAOYSA-N
XLogP3.69
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.27
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-iodo-4-methoxy-N-[[4-(propylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 17219122
3-bromo-4-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide
CID 17218741
3-iodo-N-[3-[(3-iodo-4-methoxybenzoyl)amino]propyl]-4-methoxybenzamide
CID 4981153
1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 17219360
N-(4-anilinophenyl)-3-iodo-4-methoxybenzamide
CID 1010448
3-iodo-4-methoxy-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17205639
4-N-(3,4-dimethoxyphenyl)-1-N-pentylbenzene-1,4-dicarboxamide
CID 109048755
3-iodo-4-methoxy-N-(4-prop-2-enoxyphenyl)benzamide
CID 4952478
3-acetamido-4-methoxy-N-propylbenzamide
CID 110764204
N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-3-iodo-4-methoxybenzamide
CID 4940853
3-iodo-4-methoxy-N-[4-(prop-2-enylsulfamoyl)phenyl]benzamide
CID 4929820
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide
CID 55893304

Frequently Asked Questions

What is the IUPAC name of 3-iodo-4-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide?
The IUPAC name of 3-iodo-4-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide (CID 17218730) is 3-iodo-4-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 3-iodo-4-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 3-iodo-4-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide is CCCNC(=O)c1ccc(NC(=O)c2ccc(OC)c(I)c2)cc1.
What is the InChIKey of 3-iodo-4-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide?
The InChIKey is YJNXAJKHPTYIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19IN2O3/c1-3-10-20-17(22)12-4-7-14(8-5-12)21-18(23)13-6-9-16(24-2)15(19)11-13/h4-9,11H,3,10H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 3-iodo-4-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide?
3-iodo-4-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide has a molecular weight of 438.27 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-4-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 17218730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).