2-chloro-N-cyclopropyl-4-[[2-(4-iodophenoxy)acetyl]amino]benzamide

C18H16ClIN2O3 — CID 55804856

IUPAC2-chloro-N-cyclopropyl-4-[[2-(4-iodophenoxy)acetyl]amino]benzamide
SMILESO=C(COc1ccc(I)cc1)Nc1ccc(C(=O)NC2CC2)c(Cl)c1
InChIInChI=1S/C18H16ClIN2O3/c19-16-9-13(5-8-15(16)18(24)22-12-3-4-12)21-17(23)10-25-14-6-1-11(20)2-7-14/h1-2,5-9,12H,3-4,10H2,(H,21,23)(H,22,24)
InChIKeyAECRIURBZNFWHP-UHFFFAOYSA-N
MW470.69 g/mol
LogP3.85
Rot. Bonds6

About 2-chloro-N-cyclopropyl-4-[[2-(4-iodophenoxy)acetyl]amino]benzamide

2-chloro-N-cyclopropyl-4-[[2-(4-iodophenoxy)acetyl]amino]benzamide (PubChem CID 55804856) has the molecular formula C18H16ClIN2O3 and a molecular weight of 470.69 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-4-[[2-(4-iodophenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-4-[[2-(4-iodophenoxy)acetyl]amino]benzamide
PubChem CID55804856
Molecular FormulaC18H16ClIN2O3
Molecular Weight470.69 g/mol
Exact Mass469.99
IUPAC Name2-chloro-N-cyclopropyl-4-[[2-(4-iodophenoxy)acetyl]amino]benzamide
SMILESO=C(COc1ccc(I)cc1)Nc1ccc(C(=O)NC2CC2)c(Cl)c1
InChIInChI=1S/C18H16ClIN2O3/c19-16-9-13(5-8-15(16)18(24)22-12-3-4-12)21-17(23)10-25-14-6-1-11(20)2-7-14/h1-2,5-9,12H,3-4,10H2,(H,21,23)(H,22,24)
InChIKeyAECRIURBZNFWHP-UHFFFAOYSA-N
XLogP3.85
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.69
LogP ≤ 53.85
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

2-chloro-N-cyclopropyl-4-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 55805524
2-chloro-N-cyclohexyl-5-[[2-(4-phenylphenoxy)acetyl]amino]benzamide
CID 17188486
2-chloro-4-[3-(3-chlorophenoxy)propanoylamino]-N-cyclopropylbenzamide
CID 55805438
2-chloro-5-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-cyclohexylbenzamide
CID 17188384
5-[[2-(4-chlorophenoxy)acetyl]amino]-N-cyclopropyl-2-(4-methylpiperidin-1-yl)benzamide
CID 1066572
2-chloro-4-[[2-(4-cyclohexylphenoxy)acetyl]amino]benzoic acid
CID 28677426
2-chloro-4-[3-(2-chloro-4-fluorophenoxy)propanoylamino]-N-cyclopropylbenzamide
CID 55805375
N-(4-chloro-3-nitrophenyl)-2-(4-iodophenoxy)acetamide
CID 35987063
N-cyclohexyl-2-(4-iodophenoxy)acetamide
CID 1313853
5-[(2-aminoacetyl)amino]-2-chloro-N-cyclopropylbenzamide;hydrochloride
CID 119283832
2-chloro-N-cyclopropyl-4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]benzamide
CID 55805274
N-(2,3-dihydro-1H-inden-5-yl)-2-(4-iodophenoxy)acetamide
CID 2627640

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-4-[[2-(4-iodophenoxy)acetyl]amino]benzamide?
The IUPAC name of 2-chloro-N-cyclopropyl-4-[[2-(4-iodophenoxy)acetyl]amino]benzamide (CID 55804856) is 2-chloro-N-cyclopropyl-4-[[2-(4-iodophenoxy)acetyl]amino]benzamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-4-[[2-(4-iodophenoxy)acetyl]amino]benzamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-4-[[2-(4-iodophenoxy)acetyl]amino]benzamide is O=C(COc1ccc(I)cc1)Nc1ccc(C(=O)NC2CC2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-cyclopropyl-4-[[2-(4-iodophenoxy)acetyl]amino]benzamide?
The InChIKey is AECRIURBZNFWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClIN2O3/c19-16-9-13(5-8-15(16)18(24)22-12-3-4-12)21-17(23)10-25-14-6-1-11(20)2-7-14/h1-2,5-9,12H,3-4,10H2,(H,21,23)(H,22,24).
What are the key properties of 2-chloro-N-cyclopropyl-4-[[2-(4-iodophenoxy)acetyl]amino]benzamide?
2-chloro-N-cyclopropyl-4-[[2-(4-iodophenoxy)acetyl]amino]benzamide has a molecular weight of 470.69 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-4-[[2-(4-iodophenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 55804856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).