4-(cyclopropanecarbonylamino)-N-(3-iodophenyl)benzamide

C17H15IN2O2 — CID 9326139

IUPAC4-(cyclopropanecarbonylamino)-N-(3-iodophenyl)benzamide
SMILESO=C(Nc1cccc(I)c1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C17H15IN2O2/c18-13-2-1-3-15(10-13)20-17(22)12-6-8-14(9-7-12)19-16(21)11-4-5-11/h1-3,6-11H,4-5H2,(H,19,21)(H,20,22)
InChIKeyQAUDCAODKMSKQI-UHFFFAOYSA-N
MW406.22 g/mol
LogP3.89
Rot. Bonds4

About 4-(cyclopropanecarbonylamino)-N-(3-iodophenyl)benzamide

4-(cyclopropanecarbonylamino)-N-(3-iodophenyl)benzamide (PubChem CID 9326139) has the molecular formula C17H15IN2O2 and a molecular weight of 406.22 g/mol. Its IUPAC name is 4-(cyclopropanecarbonylamino)-N-(3-iodophenyl)benzamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonylamino)-N-(3-iodophenyl)benzamide
PubChem CID9326139
Molecular FormulaC17H15IN2O2
Molecular Weight406.22 g/mol
Exact Mass406.02
IUPAC Name4-(cyclopropanecarbonylamino)-N-(3-iodophenyl)benzamide
SMILESO=C(Nc1cccc(I)c1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C17H15IN2O2/c18-13-2-1-3-15(10-13)20-17(22)12-6-8-14(9-7-12)19-16(21)11-4-5-11/h1-3,6-11H,4-5H2,(H,19,21)(H,20,22)
InChIKeyQAUDCAODKMSKQI-UHFFFAOYSA-N
XLogP3.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.22
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[4-(cyclopropanecarbonylamino)benzoyl]amino]-N-cyclopropylbenzamide
CID 26110757
4-(cyclopropanecarbonylamino)-N-(3-nitrophenyl)benzamide
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N-[4-(carbamoylamino)phenyl]-3-(cyclopropanecarbonylamino)benzamide
CID 33151643
4-(cyclopropanecarbonylamino)-N-[3-(dimethylsulfamoyl)phenyl]benzamide
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CID 48584588
N-(3-bromophenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 35436954
4-(cyclopropanecarbonylamino)-N-[2-(cyclopropanecarbonylamino)-4-methylphenyl]benzamide
CID 17296301
N-(2-acetylphenyl)-4-(cyclopropanecarbonylamino)benzamide
CID 112760957
3-(cyclopropanecarbonylamino)-N-(4-phenoxyphenyl)benzamide
CID 34757379
3-(cyclopropanecarbonylamino)-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide
CID 30127139
tert-butyl N-[4-[(3-iodophenyl)carbamoyl]phenyl]carbamate
CID 26245474

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonylamino)-N-(3-iodophenyl)benzamide?
The IUPAC name of 4-(cyclopropanecarbonylamino)-N-(3-iodophenyl)benzamide (CID 9326139) is 4-(cyclopropanecarbonylamino)-N-(3-iodophenyl)benzamide.
What is the SMILES notation for 4-(cyclopropanecarbonylamino)-N-(3-iodophenyl)benzamide?
The canonical SMILES for 4-(cyclopropanecarbonylamino)-N-(3-iodophenyl)benzamide is O=C(Nc1cccc(I)c1)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of 4-(cyclopropanecarbonylamino)-N-(3-iodophenyl)benzamide?
The InChIKey is QAUDCAODKMSKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15IN2O2/c18-13-2-1-3-15(10-13)20-17(22)12-6-8-14(9-7-12)19-16(21)11-4-5-11/h1-3,6-11H,4-5H2,(H,19,21)(H,20,22).
What are the key properties of 4-(cyclopropanecarbonylamino)-N-(3-iodophenyl)benzamide?
4-(cyclopropanecarbonylamino)-N-(3-iodophenyl)benzamide has a molecular weight of 406.22 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonylamino)-N-(3-iodophenyl)benzamide is sourced from PubChem (CID 9326139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).