N-benzyl-3-ethoxy-5-iodo-4-propoxybenzamide

C19H22INO3 — CID 3971537

IUPACN-benzyl-3-ethoxy-5-iodo-4-propoxybenzamide
SMILESCCCOc1c(I)cc(C(=O)NCc2ccccc2)cc1OCC
InChIInChI=1S/C19H22INO3/c1-3-10-24-18-16(20)11-15(12-17(18)23-4-2)19(22)21-13-14-8-6-5-7-9-14/h5-9,11-12H,3-4,10,13H2,1-2H3,(H,21,22)
InChIKeyVWLRSCZGYJXDMZ-UHFFFAOYSA-N
MW439.29 g/mol
LogP4.41
Rot. Bonds8

About N-benzyl-3-ethoxy-5-iodo-4-propoxybenzamide

N-benzyl-3-ethoxy-5-iodo-4-propoxybenzamide (PubChem CID 3971537) has the molecular formula C19H22INO3 and a molecular weight of 439.29 g/mol. Its IUPAC name is N-benzyl-3-ethoxy-5-iodo-4-propoxybenzamide.

Molecular Properties

Compound NameN-benzyl-3-ethoxy-5-iodo-4-propoxybenzamide
PubChem CID3971537
Molecular FormulaC19H22INO3
Molecular Weight439.29 g/mol
Exact Mass439.06
IUPAC NameN-benzyl-3-ethoxy-5-iodo-4-propoxybenzamide
SMILESCCCOc1c(I)cc(C(=O)NCc2ccccc2)cc1OCC
InChIInChI=1S/C19H22INO3/c1-3-10-24-18-16(20)11-15(12-17(18)23-4-2)19(22)21-13-14-8-6-5-7-9-14/h5-9,11-12H,3-4,10,13H2,1-2H3,(H,21,22)
InChIKeyVWLRSCZGYJXDMZ-UHFFFAOYSA-N
XLogP4.41
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.29
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-3-ethoxy-4-propoxybenzamide
CID 4264811
phenacyl 3-ethoxy-5-iodo-4-propoxybenzoate
CID 4540335
(E)-2-benzamido-3-(3-ethoxy-5-iodo-4-propoxyphenyl)prop-2-enoic acid
CID 6209924
N-benzyl-3-ethoxy-4-phenylmethoxybenzamide
CID 2192321
3-ethoxy-5-iodo-4-phenylmethoxybenzoyl chloride
CID 91682355
N-benzyl-3-bromo-4-ethoxy-5-methoxybenzamide
CID 5008946
3-iodo-5-methoxy-N-(2-methoxyphenyl)-4-propoxybenzamide
CID 4541836
3-chloro-5-ethoxy-N-[(2-methoxyphenyl)methyl]-4-propoxybenzamide
CID 9246200
[2-oxo-2-(4-phenylphenyl)ethyl] 3-ethoxy-5-iodo-4-propoxybenzoate
CID 126371723
N-[[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]-3-chloro-5-ethoxy-4-propoxybenzamide
CID 51954145
N-(2-chlorophenyl)-3,4-diethoxy-5-iodobenzamide
CID 3878206
3,4,5-triethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 669602

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-ethoxy-5-iodo-4-propoxybenzamide?
The IUPAC name of N-benzyl-3-ethoxy-5-iodo-4-propoxybenzamide (CID 3971537) is N-benzyl-3-ethoxy-5-iodo-4-propoxybenzamide.
What is the SMILES notation for N-benzyl-3-ethoxy-5-iodo-4-propoxybenzamide?
The canonical SMILES for N-benzyl-3-ethoxy-5-iodo-4-propoxybenzamide is CCCOc1c(I)cc(C(=O)NCc2ccccc2)cc1OCC.
What is the InChIKey of N-benzyl-3-ethoxy-5-iodo-4-propoxybenzamide?
The InChIKey is VWLRSCZGYJXDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22INO3/c1-3-10-24-18-16(20)11-15(12-17(18)23-4-2)19(22)21-13-14-8-6-5-7-9-14/h5-9,11-12H,3-4,10,13H2,1-2H3,(H,21,22).
What are the key properties of N-benzyl-3-ethoxy-5-iodo-4-propoxybenzamide?
N-benzyl-3-ethoxy-5-iodo-4-propoxybenzamide has a molecular weight of 439.29 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-ethoxy-5-iodo-4-propoxybenzamide is sourced from PubChem (CID 3971537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).