N-[4-(4-iodophenyl)butan-2-yl]benzamide

C17H18INO — CID 132547584

IUPACN-[4-(4-iodophenyl)butan-2-yl]benzamide
SMILESCC(CCc1ccc(I)cc1)NC(=O)c1ccccc1
InChIInChI=1S/C17H18INO/c1-13(7-8-14-9-11-16(18)12-10-14)19-17(20)15-5-3-2-4-6-15/h2-6,9-13H,7-8H2,1H3,(H,19,20)
InChIKeyRUVVYYXIXMJACN-UHFFFAOYSA-N
MW379.24 g/mol
LogP4.04
Rot. Bonds5

About N-[4-(4-iodophenyl)butan-2-yl]benzamide

N-[4-(4-iodophenyl)butan-2-yl]benzamide (PubChem CID 132547584) has the molecular formula C17H18INO and a molecular weight of 379.24 g/mol. Its IUPAC name is N-[4-(4-iodophenyl)butan-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-(4-iodophenyl)butan-2-yl]benzamide
PubChem CID132547584
Molecular FormulaC17H18INO
Molecular Weight379.24 g/mol
Exact Mass379.04
IUPAC NameN-[4-(4-iodophenyl)butan-2-yl]benzamide
SMILESCC(CCc1ccc(I)cc1)NC(=O)c1ccccc1
InChIInChI=1S/C17H18INO/c1-13(7-8-14-9-11-16(18)12-10-14)19-17(20)15-5-3-2-4-6-15/h2-6,9-13H,7-8H2,1H3,(H,19,20)
InChIKeyRUVVYYXIXMJACN-UHFFFAOYSA-N
XLogP4.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.24
LogP ≤ 54.04
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

N-(4-phenylbutan-2-yl)-4-sulfanylbenzamide
CID 107026940
N-(4-phenylbutan-2-yl)pyridine-4-carboxamide
CID 3246771
3,4-dimethyl-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 903724
4-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 854833
2-hydroxy-5-iodo-N-(4-phenylbutan-2-yl)benzamide
CID 103600369
3-[(4-iodobenzoyl)amino]butanoic acid
CID 43240598
3-bromo-N-(4-phenylbutan-2-yl)benzamide
CID 2900387
3-chloro-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 808043
N-[(2S)-4-phenylbutan-2-yl]-4-propan-2-yloxybenzamide
CID 1263174
3-bromo-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 880257
4-(carbamoylamino)-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 26013431
[4-(4-phenylbutan-2-ylcarbamoyl)phenyl] acetate
CID 3865423

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-iodophenyl)butan-2-yl]benzamide?
The IUPAC name of N-[4-(4-iodophenyl)butan-2-yl]benzamide (CID 132547584) is N-[4-(4-iodophenyl)butan-2-yl]benzamide.
What is the SMILES notation for N-[4-(4-iodophenyl)butan-2-yl]benzamide?
The canonical SMILES for N-[4-(4-iodophenyl)butan-2-yl]benzamide is CC(CCc1ccc(I)cc1)NC(=O)c1ccccc1.
What is the InChIKey of N-[4-(4-iodophenyl)butan-2-yl]benzamide?
The InChIKey is RUVVYYXIXMJACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18INO/c1-13(7-8-14-9-11-16(18)12-10-14)19-17(20)15-5-3-2-4-6-15/h2-6,9-13H,7-8H2,1H3,(H,19,20).
What are the key properties of N-[4-(4-iodophenyl)butan-2-yl]benzamide?
N-[4-(4-iodophenyl)butan-2-yl]benzamide has a molecular weight of 379.24 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-iodophenyl)butan-2-yl]benzamide is sourced from PubChem (CID 132547584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).