N-(3-ethoxypropyl)-3-[(3-iodobenzoyl)amino]benzamide

C19H21IN2O3 — CID 55801744

IUPACN-(3-ethoxypropyl)-3-[(3-iodobenzoyl)amino]benzamide
SMILESCCOCCCNC(=O)c1cccc(NC(=O)c2cccc(I)c2)c1
InChIInChI=1S/C19H21IN2O3/c1-2-25-11-5-10-21-18(23)15-7-4-9-17(13-15)22-19(24)14-6-3-8-16(20)12-14/h3-4,6-9,12-13H,2,5,10-11H2,1H3,(H,21,23)(H,22,24)
InChIKeyWSXKQRWMGBRNSV-UHFFFAOYSA-N
MW452.29 g/mol
LogP3.70
Rot. Bonds8

About N-(3-ethoxypropyl)-3-[(3-iodobenzoyl)amino]benzamide

N-(3-ethoxypropyl)-3-[(3-iodobenzoyl)amino]benzamide (PubChem CID 55801744) has the molecular formula C19H21IN2O3 and a molecular weight of 452.29 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-3-[(3-iodobenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-3-[(3-iodobenzoyl)amino]benzamide
PubChem CID55801744
Molecular FormulaC19H21IN2O3
Molecular Weight452.29 g/mol
Exact Mass452.06
IUPAC NameN-(3-ethoxypropyl)-3-[(3-iodobenzoyl)amino]benzamide
SMILESCCOCCCNC(=O)c1cccc(NC(=O)c2cccc(I)c2)c1
InChIInChI=1S/C19H21IN2O3/c1-2-25-11-5-10-21-18(23)15-7-4-9-17(13-15)22-19(24)14-6-3-8-16(20)12-14/h3-4,6-9,12-13H,2,5,10-11H2,1H3,(H,21,23)(H,22,24)
InChIKeyWSXKQRWMGBRNSV-UHFFFAOYSA-N
XLogP3.70
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.29
LogP ≤ 53.70
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-aminobenzoyl)amino]-N-(3-ethoxypropyl)benzamide
CID 119717789
N-(3-ethoxypropyl)-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]benzamide
CID 55968925
3-[(2-aminoacetyl)amino]-N-(3-ethoxypropyl)benzamide
CID 119286252
4-[[3-(3-ethoxypropylcarbamoyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119180627
3-[[3-(2-ethoxyethoxy)benzoyl]amino]-N-(3-methoxypropyl)benzamide
CID 26160383
N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1,2-benzothiazole-3-carboxamide
CID 53030354
4-chloro-N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide
CID 51090386
3-(2-aminopentanoylamino)-N-(3-ethoxypropyl)benzamide
CID 119286264
2-benzyl-N-[3-(3-ethoxypropylcarbamoyl)phenyl]benzamide
CID 55801849
N-(3-ethoxypropyl)-3-[2-(4-ethylphenyl)propanoylamino]benzamide
CID 166187815
N-(3-ethoxypropyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
CID 55801583
3-[(2-amino-2-methylpentanoyl)amino]-N-(3-ethoxypropyl)benzamide
CID 119717821

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-3-[(3-iodobenzoyl)amino]benzamide?
The IUPAC name of N-(3-ethoxypropyl)-3-[(3-iodobenzoyl)amino]benzamide (CID 55801744) is N-(3-ethoxypropyl)-3-[(3-iodobenzoyl)amino]benzamide.
What is the SMILES notation for N-(3-ethoxypropyl)-3-[(3-iodobenzoyl)amino]benzamide?
The canonical SMILES for N-(3-ethoxypropyl)-3-[(3-iodobenzoyl)amino]benzamide is CCOCCCNC(=O)c1cccc(NC(=O)c2cccc(I)c2)c1.
What is the InChIKey of N-(3-ethoxypropyl)-3-[(3-iodobenzoyl)amino]benzamide?
The InChIKey is WSXKQRWMGBRNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21IN2O3/c1-2-25-11-5-10-21-18(23)15-7-4-9-17(13-15)22-19(24)14-6-3-8-16(20)12-14/h3-4,6-9,12-13H,2,5,10-11H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-(3-ethoxypropyl)-3-[(3-iodobenzoyl)amino]benzamide?
N-(3-ethoxypropyl)-3-[(3-iodobenzoyl)amino]benzamide has a molecular weight of 452.29 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-3-[(3-iodobenzoyl)amino]benzamide is sourced from PubChem (CID 55801744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).