3-bromo-5-iodo-N-[(1R)-1-phenylpropyl]benzamide

C16H15BrINO — CID 170766371

IUPAC3-bromo-5-iodo-N-[(1R)-1-phenylpropyl]benzamide
SMILESCC[C@@H](NC(=O)c1cc(Br)cc(I)c1)c1ccccc1
InChIInChI=1S/C16H15BrINO/c1-2-15(11-6-4-3-5-7-11)19-16(20)12-8-13(17)10-14(18)9-12/h3-10,15H,2H2,1H3,(H,19,20)/t15-/m1/s1
InChIKeySYMKOCXEEXNRGM-OAHLLOKOSA-N
MW444.11 g/mol
LogP4.93
Rot. Bonds4

About 3-bromo-5-iodo-N-[(1R)-1-phenylpropyl]benzamide

3-bromo-5-iodo-N-[(1R)-1-phenylpropyl]benzamide (PubChem CID 170766371) has the molecular formula C16H15BrINO and a molecular weight of 444.11 g/mol. Its IUPAC name is 3-bromo-5-iodo-N-[(1R)-1-phenylpropyl]benzamide.

Molecular Properties

Compound Name3-bromo-5-iodo-N-[(1R)-1-phenylpropyl]benzamide
PubChem CID170766371
Molecular FormulaC16H15BrINO
Molecular Weight444.11 g/mol
Exact Mass442.94
IUPAC Name3-bromo-5-iodo-N-[(1R)-1-phenylpropyl]benzamide
SMILESCC[C@@H](NC(=O)c1cc(Br)cc(I)c1)c1ccccc1
InChIInChI=1S/C16H15BrINO/c1-2-15(11-6-4-3-5-7-11)19-16(20)12-8-13(17)10-14(18)9-12/h3-10,15H,2H2,1H3,(H,19,20)/t15-/m1/s1
InChIKeySYMKOCXEEXNRGM-OAHLLOKOSA-N
XLogP4.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.11
LogP ≤ 54.93
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

3,5-dibromo-N-[1-(4-bromophenyl)propyl]benzamide
CID 107980228
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
N-[(1S)-1-(4-bromophenyl)propyl]benzamide
CID 26776311
3,4,5-trifluoro-N-(1-phenylpropyl)benzamide
CID 63189526
3-hydroxy-N-(1-phenylpropyl)benzamide
CID 55057527
N-(1-phenylpropyl)-4-propan-2-ylbenzamide
CID 17327920
4-fluoro-N-[(1S)-1-phenylpropyl]benzamide
CID 781115
3-bromo-N-(1-phenylbutyl)benzamide
CID 60654945
methyl 3-(1-phenylpropylcarbamoyl)benzoate
CID 43911594
3-amino-4-methyl-N-(1-phenylpropyl)benzamide
CID 62304004
1-N,3-N,5-N-tris(2-hydroxy-1-phenylethyl)benzene-1,3,5-tricarboxamide
CID 139248401
5-bromo-2-ethoxy-N-(1-phenylpropyl)benzamide
CID 43911555

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-iodo-N-[(1R)-1-phenylpropyl]benzamide?
The IUPAC name of 3-bromo-5-iodo-N-[(1R)-1-phenylpropyl]benzamide (CID 170766371) is 3-bromo-5-iodo-N-[(1R)-1-phenylpropyl]benzamide.
What is the SMILES notation for 3-bromo-5-iodo-N-[(1R)-1-phenylpropyl]benzamide?
The canonical SMILES for 3-bromo-5-iodo-N-[(1R)-1-phenylpropyl]benzamide is CC[C@@H](NC(=O)c1cc(Br)cc(I)c1)c1ccccc1.
What is the InChIKey of 3-bromo-5-iodo-N-[(1R)-1-phenylpropyl]benzamide?
The InChIKey is SYMKOCXEEXNRGM-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H15BrINO/c1-2-15(11-6-4-3-5-7-11)19-16(20)12-8-13(17)10-14(18)9-12/h3-10,15H,2H2,1H3,(H,19,20)/t15-/m1/s1.
What are the key properties of 3-bromo-5-iodo-N-[(1R)-1-phenylpropyl]benzamide?
3-bromo-5-iodo-N-[(1R)-1-phenylpropyl]benzamide has a molecular weight of 444.11 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-iodo-N-[(1R)-1-phenylpropyl]benzamide is sourced from PubChem (CID 170766371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).