N-(4-iodophenyl)-4-pentoxybenzamide

C18H20INO2 — CID 4935000

IUPACN-(4-iodophenyl)-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)Nc2ccc(I)cc2)cc1
InChIInChI=1S/C18H20INO2/c1-2-3-4-13-22-17-11-5-14(6-12-17)18(21)20-16-9-7-15(19)8-10-16/h5-12H,2-4,13H2,1H3,(H,20,21)
InChIKeyDULPSOOWQMZXFY-UHFFFAOYSA-N
MW409.27 g/mol
LogP5.11
Rot. Bonds7

About N-(4-iodophenyl)-4-pentoxybenzamide

N-(4-iodophenyl)-4-pentoxybenzamide (PubChem CID 4935000) has the molecular formula C18H20INO2 and a molecular weight of 409.27 g/mol. Its IUPAC name is N-(4-iodophenyl)-4-pentoxybenzamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-4-pentoxybenzamide
PubChem CID4935000
Molecular FormulaC18H20INO2
Molecular Weight409.27 g/mol
Exact Mass409.05
IUPAC NameN-(4-iodophenyl)-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)Nc2ccc(I)cc2)cc1
InChIInChI=1S/C18H20INO2/c1-2-3-4-13-22-17-11-5-14(6-12-17)18(21)20-16-9-7-15(19)8-10-16/h5-12H,2-4,13H2,1H3,(H,20,21)
InChIKeyDULPSOOWQMZXFY-UHFFFAOYSA-N
XLogP5.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.27
LogP ≤ 55.11
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

N-[(4-iodophenyl)carbamothioyl]-4-pentoxybenzamide
CID 4935594
N-(4-methoxyphenyl)-4-octoxybenzamide
CID 71343101
4-pentoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 17340246
N-(4-benzamidophenyl)-4-butoxybenzamide
CID 17235408
4-[(4-butoxybenzoyl)amino]-N-methylbenzamide
CID 9164625
4-[(4-heptoxybenzoyl)amino]-N-propylbenzamide
CID 17218814
pentyl 4-[(4-hexoxybenzoyl)amino]benzoate
CID 19170775
N-(4-pentoxyphenyl)-4-phenoxybenzamide
CID 5048433
N-[4-(3-methylbutoxy)phenyl]-4-pentoxybenzamide
CID 4949915
butyl 4-[(4-iodobenzoyl)amino]benzoate
CID 2164958
N-(4-heptoxyphenyl)-4-(2-methylpropoxy)benzamide
CID 4951578
N-(2-methoxyethyl)-4-[(4-pentoxybenzoyl)amino]benzamide
CID 17218273

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-4-pentoxybenzamide?
The IUPAC name of N-(4-iodophenyl)-4-pentoxybenzamide (CID 4935000) is N-(4-iodophenyl)-4-pentoxybenzamide.
What is the SMILES notation for N-(4-iodophenyl)-4-pentoxybenzamide?
The canonical SMILES for N-(4-iodophenyl)-4-pentoxybenzamide is CCCCCOc1ccc(C(=O)Nc2ccc(I)cc2)cc1.
What is the InChIKey of N-(4-iodophenyl)-4-pentoxybenzamide?
The InChIKey is DULPSOOWQMZXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20INO2/c1-2-3-4-13-22-17-11-5-14(6-12-17)18(21)20-16-9-7-15(19)8-10-16/h5-12H,2-4,13H2,1H3,(H,20,21).
What are the key properties of N-(4-iodophenyl)-4-pentoxybenzamide?
N-(4-iodophenyl)-4-pentoxybenzamide has a molecular weight of 409.27 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-4-pentoxybenzamide is sourced from PubChem (CID 4935000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).