N-benzyl-N-butyl-2-iodobenzamide

C18H20INO — CID 141495475

IUPACN-benzyl-N-butyl-2-iodobenzamide
SMILESCCCCN(Cc1ccccc1)C(=O)c1ccccc1I
InChIInChI=1S/C18H20INO/c1-2-3-13-20(14-15-9-5-4-6-10-15)18(21)16-11-7-8-12-17(16)19/h4-12H,2-3,13-14H2,1H3
InChIKeyJETQXKOVVBCVSI-UHFFFAOYSA-N
MW393.27 g/mol
LogP4.73
Rot. Bonds6

About N-benzyl-N-butyl-2-iodobenzamide

N-benzyl-N-butyl-2-iodobenzamide (PubChem CID 141495475) has the molecular formula C18H20INO and a molecular weight of 393.27 g/mol. Its IUPAC name is N-benzyl-N-butyl-2-iodobenzamide.

Molecular Properties

Compound NameN-benzyl-N-butyl-2-iodobenzamide
PubChem CID141495475
Molecular FormulaC18H20INO
Molecular Weight393.27 g/mol
Exact Mass393.06
IUPAC NameN-benzyl-N-butyl-2-iodobenzamide
SMILESCCCCN(Cc1ccccc1)C(=O)c1ccccc1I
InChIInChI=1S/C18H20INO/c1-2-3-13-20(14-15-9-5-4-6-10-15)18(21)16-11-7-8-12-17(16)19/h4-12H,2-3,13-14H2,1H3
InChIKeyJETQXKOVVBCVSI-UHFFFAOYSA-N
XLogP4.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-3-oxopropyl)-N-benzyl-2-iodobenzamide
CID 28642305
N-benzyl-2-iodo-N-(2-tributylstannylprop-2-enyl)benzamide
CID 25268227
N-heptyl-N-(3-hydroxypropyl)-2-iodobenzamide
CID 61400671
N-benzyl-N-butylpropanamide
CID 12502571
N-[(2-aminophenyl)methyl]-2-iodo-N-propylbenzamide
CID 43459852
2-[4-[[benzoyl(butyl)amino]methyl]phenyl]benzoic acid
CID 162648208
N-benzyl-N-butyl-4-hydroxybutanamide
CID 139706995
N-benzyl-N-butylthiadiazole-4-carboxamide
CID 42789403
2-[carboxymethyl-(2-iodobenzoyl)amino]acetic acid
CID 63651599
(Z)-4-[benzyl(butyl)amino]-2-hydroxy-4-oxobut-2-enoic acid
CID 54689381
[4-[[butyl-(2-chlorobenzoyl)amino]methyl]phenyl] methanesulfonate
CID 4264061
2-bromo-N,N-dibutylbenzamide
CID 2843235

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-butyl-2-iodobenzamide?
The IUPAC name of N-benzyl-N-butyl-2-iodobenzamide (CID 141495475) is N-benzyl-N-butyl-2-iodobenzamide.
What is the SMILES notation for N-benzyl-N-butyl-2-iodobenzamide?
The canonical SMILES for N-benzyl-N-butyl-2-iodobenzamide is CCCCN(Cc1ccccc1)C(=O)c1ccccc1I.
What is the InChIKey of N-benzyl-N-butyl-2-iodobenzamide?
The InChIKey is JETQXKOVVBCVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20INO/c1-2-3-13-20(14-15-9-5-4-6-10-15)18(21)16-11-7-8-12-17(16)19/h4-12H,2-3,13-14H2,1H3.
What are the key properties of N-benzyl-N-butyl-2-iodobenzamide?
N-benzyl-N-butyl-2-iodobenzamide has a molecular weight of 393.27 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-butyl-2-iodobenzamide is sourced from PubChem (CID 141495475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).