N-[2-[(2R)-butan-2-yl]phenyl]-3-iodobenzamide

C17H18INO — CID 2670800

IUPACN-[2-[(2R)-butan-2-yl]phenyl]-3-iodobenzamide
SMILESCC[C@@H](C)c1ccccc1NC(=O)c1cccc(I)c1
InChIInChI=1S/C17H18INO/c1-3-12(2)15-9-4-5-10-16(15)19-17(20)13-7-6-8-14(18)11-13/h4-12H,3H2,1-2H3,(H,19,20)/t12-/m1/s1
InChIKeyUXTQCHDCFIDMIA-GFCCVEGCSA-N
MW379.24 g/mol
LogP5.06
Rot. Bonds4

About N-[2-[(2R)-butan-2-yl]phenyl]-3-iodobenzamide

N-[2-[(2R)-butan-2-yl]phenyl]-3-iodobenzamide (PubChem CID 2670800) has the molecular formula C17H18INO and a molecular weight of 379.24 g/mol. Its IUPAC name is N-[2-[(2R)-butan-2-yl]phenyl]-3-iodobenzamide.

Molecular Properties

Compound NameN-[2-[(2R)-butan-2-yl]phenyl]-3-iodobenzamide
PubChem CID2670800
Molecular FormulaC17H18INO
Molecular Weight379.24 g/mol
Exact Mass379.04
IUPAC NameN-[2-[(2R)-butan-2-yl]phenyl]-3-iodobenzamide
SMILESCC[C@@H](C)c1ccccc1NC(=O)c1cccc(I)c1
InChIInChI=1S/C17H18INO/c1-3-12(2)15-9-4-5-10-16(15)19-17(20)13-7-6-8-14(18)11-13/h4-12H,3H2,1-2H3,(H,19,20)/t12-/m1/s1
InChIKeyUXTQCHDCFIDMIA-GFCCVEGCSA-N
XLogP5.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.24
LogP ≤ 55.06
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-[2-[(2R)-butan-2-yl]phenyl]benzamide
CID 849169
N-[2-[(2S)-butan-2-yl]phenyl]-3-(2-methylpropoxy)benzamide
CID 959928
N-[2-[(2R)-butan-2-yl]phenyl]-3-(diethylsulfamoyl)benzamide
CID 2670766
N-[2-[(2S)-butan-2-yl]phenyl]-3,5-dimethoxybenzamide
CID 2670827
N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide
CID 959786
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
N-(2-butan-2-ylphenyl)-3,4,5-trimethoxybenzamide
CID 11841254
N-[2-[(2S)-butan-2-yl]phenyl]-3,5-dimethoxy-4-methylbenzamide
CID 2669248
2-[(3-iodobenzoyl)amino]-N-propan-2-ylbenzamide
CID 34567999
[4-[[2-[(2R)-butan-2-yl]phenyl]carbamoyl]phenyl] acetate
CID 41121356
N-[[2-[(2S)-butan-2-yl]phenyl]carbamothioyl]-2,5-diiodobenzamide
CID 124554564
N-[2-[(2S)-butan-2-yl]phenyl]-4-(2-methylpropoxy)benzamide
CID 959904

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-butan-2-yl]phenyl]-3-iodobenzamide?
The IUPAC name of N-[2-[(2R)-butan-2-yl]phenyl]-3-iodobenzamide (CID 2670800) is N-[2-[(2R)-butan-2-yl]phenyl]-3-iodobenzamide.
What is the SMILES notation for N-[2-[(2R)-butan-2-yl]phenyl]-3-iodobenzamide?
The canonical SMILES for N-[2-[(2R)-butan-2-yl]phenyl]-3-iodobenzamide is CC[C@@H](C)c1ccccc1NC(=O)c1cccc(I)c1.
What is the InChIKey of N-[2-[(2R)-butan-2-yl]phenyl]-3-iodobenzamide?
The InChIKey is UXTQCHDCFIDMIA-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18INO/c1-3-12(2)15-9-4-5-10-16(15)19-17(20)13-7-6-8-14(18)11-13/h4-12H,3H2,1-2H3,(H,19,20)/t12-/m1/s1.
What are the key properties of N-[2-[(2R)-butan-2-yl]phenyl]-3-iodobenzamide?
N-[2-[(2R)-butan-2-yl]phenyl]-3-iodobenzamide has a molecular weight of 379.24 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-butan-2-yl]phenyl]-3-iodobenzamide is sourced from PubChem (CID 2670800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).