N-(4-iodophenyl)-3-(prop-2-enoylamino)benzamide

C16H13IN2O2 — CID 166287423

IUPACN-(4-iodophenyl)-3-(prop-2-enoylamino)benzamide
SMILESC=CC(=O)Nc1cccc(C(=O)Nc2ccc(I)cc2)c1
InChIInChI=1S/C16H13IN2O2/c1-2-15(20)18-14-5-3-4-11(10-14)16(21)19-13-8-6-12(17)7-9-13/h2-10H,1H2,(H,18,20)(H,19,21)
InChIKeySGVHSTYKVHATNA-UHFFFAOYSA-N
MW392.20 g/mol
LogP3.67
Rot. Bonds4

About N-(4-iodophenyl)-3-(prop-2-enoylamino)benzamide

N-(4-iodophenyl)-3-(prop-2-enoylamino)benzamide (PubChem CID 166287423) has the molecular formula C16H13IN2O2 and a molecular weight of 392.20 g/mol. Its IUPAC name is N-(4-iodophenyl)-3-(prop-2-enoylamino)benzamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-3-(prop-2-enoylamino)benzamide
PubChem CID166287423
Molecular FormulaC16H13IN2O2
Molecular Weight392.20 g/mol
Exact Mass392.00
IUPAC NameN-(4-iodophenyl)-3-(prop-2-enoylamino)benzamide
SMILESC=CC(=O)Nc1cccc(C(=O)Nc2ccc(I)cc2)c1
InChIInChI=1S/C16H13IN2O2/c1-2-15(20)18-14-5-3-4-11(10-14)16(21)19-13-8-6-12(17)7-9-13/h2-10H,1H2,(H,18,20)(H,19,21)
InChIKeySGVHSTYKVHATNA-UHFFFAOYSA-N
XLogP3.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.20
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-iodophenyl)-3-(2-methylpropanoylamino)benzamide
CID 3737754
N-(4-acetamido-3-methylphenyl)-3-(prop-2-enoylamino)benzamide
CID 176973912
N-[3-(diethylcarbamoyl)phenyl]-3-(prop-2-enoylamino)benzamide
CID 141125198
N-(4-iodophenyl)-3-sulfanylbenzamide
CID 107022116
N-[4-[[3-(prop-2-enoylamino)benzoyl]amino]phenyl]-6-pyridin-3-ylpyridine-2-carboxamide
CID 134557684
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-(prop-2-enoylamino)benzamide
CID 167886727
1-N,3-N,5-N-tris(4-iodophenyl)benzene-1,3,5-tricarboxamide
CID 102258249
N-[3-[[4-(prop-2-enoylamino)benzoyl]amino]phenyl]-3-(1H-pyrazol-5-yl)benzamide
CID 139478873
3-acetamido-N-[4-[(4-iodophenyl)sulfamoyl]phenyl]benzamide
CID 2114640
N-[4-[[3-(prop-2-enoylamino)benzoyl]amino]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;hydrochloride
CID 131704491
6-[(Z)-1-amino-3-iminoprop-1-enyl]-N-[4-[[3-(prop-2-enoylamino)benzoyl]amino]phenyl]pyridine-2-carboxamide
CID 142361945
N-(4-iodophenyl)-3-propan-2-ylbenzamide
CID 175863152

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-3-(prop-2-enoylamino)benzamide?
The IUPAC name of N-(4-iodophenyl)-3-(prop-2-enoylamino)benzamide (CID 166287423) is N-(4-iodophenyl)-3-(prop-2-enoylamino)benzamide.
What is the SMILES notation for N-(4-iodophenyl)-3-(prop-2-enoylamino)benzamide?
The canonical SMILES for N-(4-iodophenyl)-3-(prop-2-enoylamino)benzamide is C=CC(=O)Nc1cccc(C(=O)Nc2ccc(I)cc2)c1.
What is the InChIKey of N-(4-iodophenyl)-3-(prop-2-enoylamino)benzamide?
The InChIKey is SGVHSTYKVHATNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13IN2O2/c1-2-15(20)18-14-5-3-4-11(10-14)16(21)19-13-8-6-12(17)7-9-13/h2-10H,1H2,(H,18,20)(H,19,21).
What are the key properties of N-(4-iodophenyl)-3-(prop-2-enoylamino)benzamide?
N-(4-iodophenyl)-3-(prop-2-enoylamino)benzamide has a molecular weight of 392.20 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-3-(prop-2-enoylamino)benzamide is sourced from PubChem (CID 166287423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).