N-(4-iodophenyl)-3-propan-2-ylbenzamide

C16H16INO — CID 175863152

IUPACN-(4-iodophenyl)-3-propan-2-ylbenzamide
SMILESCC(C)c1cccc(C(=O)Nc2ccc(I)cc2)c1
InChIInChI=1S/C16H16INO/c1-11(2)12-4-3-5-13(10-12)16(19)18-15-8-6-14(17)7-9-15/h3-11H,1-2H3,(H,18,19)
InChIKeyKNPSRUNLWHAAEE-UHFFFAOYSA-N
MW365.21 g/mol
LogP4.67
Rot. Bonds3

About N-(4-iodophenyl)-3-propan-2-ylbenzamide

N-(4-iodophenyl)-3-propan-2-ylbenzamide (PubChem CID 175863152) has the molecular formula C16H16INO and a molecular weight of 365.21 g/mol. Its IUPAC name is N-(4-iodophenyl)-3-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-3-propan-2-ylbenzamide
PubChem CID175863152
Molecular FormulaC16H16INO
Molecular Weight365.21 g/mol
Exact Mass365.03
IUPAC NameN-(4-iodophenyl)-3-propan-2-ylbenzamide
SMILESCC(C)c1cccc(C(=O)Nc2ccc(I)cc2)c1
InChIInChI=1S/C16H16INO/c1-11(2)12-4-3-5-13(10-12)16(19)18-15-8-6-14(17)7-9-15/h3-11H,1-2H3,(H,18,19)
InChIKeyKNPSRUNLWHAAEE-UHFFFAOYSA-N
XLogP4.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.21
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-iodo-N-(4-propan-2-ylphenyl)benzamide
CID 1154174
N-(4-iodophenyl)-3-(2-methylpropanoylamino)benzamide
CID 3737754
N-(4-iodophenyl)-3-sulfanylbenzamide
CID 107022116
1-N,3-N,5-N-tris(4-iodophenyl)benzene-1,3,5-tricarboxamide
CID 102258249
1-N,3-N,5-N-tris(4-propan-2-ylphenyl)benzene-1,3,5-tricarboxamide
CID 67992142
N-(4-iodophenyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 19176026
4-iodo-N-[4-[(4-iodobenzoyl)amino]phenyl]benzamide
CID 4105689
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
N-(4-iodophenyl)-3-(prop-2-enoylamino)benzamide
CID 166287423
3-[(4-aminoanilino)-hydroxymethyl]-N-(4-aminophenyl)benzamide
CID 166779939
N-methylsulfonyl-3-propan-2-ylbenzamide
CID 59434803
N-[4-[(1S)-1-hydroxyethyl]phenyl]-3-methylbenzamide
CID 93040828

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-3-propan-2-ylbenzamide?
The IUPAC name of N-(4-iodophenyl)-3-propan-2-ylbenzamide (CID 175863152) is N-(4-iodophenyl)-3-propan-2-ylbenzamide.
What is the SMILES notation for N-(4-iodophenyl)-3-propan-2-ylbenzamide?
The canonical SMILES for N-(4-iodophenyl)-3-propan-2-ylbenzamide is CC(C)c1cccc(C(=O)Nc2ccc(I)cc2)c1.
What is the InChIKey of N-(4-iodophenyl)-3-propan-2-ylbenzamide?
The InChIKey is KNPSRUNLWHAAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16INO/c1-11(2)12-4-3-5-13(10-12)16(19)18-15-8-6-14(17)7-9-15/h3-11H,1-2H3,(H,18,19).
What are the key properties of N-(4-iodophenyl)-3-propan-2-ylbenzamide?
N-(4-iodophenyl)-3-propan-2-ylbenzamide has a molecular weight of 365.21 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-3-propan-2-ylbenzamide is sourced from PubChem (CID 175863152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).