N-[(2R)-butan-2-yl]-3-iodo-4-methoxybenzamide

C12H16INO2 — CID 41370948

IUPACN-[(2R)-butan-2-yl]-3-iodo-4-methoxybenzamide
SMILESCC[C@@H](C)NC(=O)c1ccc(OC)c(I)c1
InChIInChI=1S/C12H16INO2/c1-4-8(2)14-12(15)9-5-6-11(16-3)10(13)7-9/h5-8H,4H2,1-3H3,(H,14,15)/t8-/m1/s1
InChIKeyMGJPOMFSUGLCSL-MRVPVSSYSA-N
MW333.17 g/mol
LogP2.83
Rot. Bonds4

About N-[(2R)-butan-2-yl]-3-iodo-4-methoxybenzamide

N-[(2R)-butan-2-yl]-3-iodo-4-methoxybenzamide (PubChem CID 41370948) has the molecular formula C12H16INO2 and a molecular weight of 333.17 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-3-iodo-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-3-iodo-4-methoxybenzamide
PubChem CID41370948
Molecular FormulaC12H16INO2
Molecular Weight333.17 g/mol
Exact Mass333.02
IUPAC NameN-[(2R)-butan-2-yl]-3-iodo-4-methoxybenzamide
SMILESCC[C@@H](C)NC(=O)c1ccc(OC)c(I)c1
InChIInChI=1S/C12H16INO2/c1-4-8(2)14-12(15)9-5-6-11(16-3)10(13)7-9/h5-8H,4H2,1-3H3,(H,14,15)/t8-/m1/s1
InChIKeyMGJPOMFSUGLCSL-MRVPVSSYSA-N
XLogP2.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-butan-2-yl]-4-methoxy-3-methylbenzamide
CID 40922017
3-amino-N-[(2S)-butan-2-yl]-4-methoxybenzamide
CID 28690052
N-[(2S)-butan-2-yl]-3-ethoxy-4-methoxybenzamide
CID 94335981
N-butan-2-yl-4-methoxy-3-(methoxymethyl)benzamide
CID 133179091
N-[(2R)-butan-2-yl]-4-methoxy-3-sulfamoylbenzamide
CID 96561901
N-butan-2-yl-3-(ethylsulfamoyl)-4-methoxybenzamide
CID 17027131
N-butan-2-yl-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 45373494
N-[(2S)-butan-2-yl]-4-(2,5-dimethoxybenzoyl)benzamide
CID 1362819
4-N-butan-2-yl-1-N-(2,4-dimethoxyphenyl)benzene-1,4-dicarboxamide
CID 109044149
3-iodo-N-[3-[(3-iodo-4-methoxybenzoyl)amino]propyl]-4-methoxybenzamide
CID 4981153
N-(1-hydroxybutan-2-ylcarbamothioyl)-3-iodo-4-methoxybenzamide
CID 17162139
3-[(4-bromophenyl)sulfamoyl]-N-butan-2-yl-4-methoxybenzamide
CID 43002606

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-3-iodo-4-methoxybenzamide?
The IUPAC name of N-[(2R)-butan-2-yl]-3-iodo-4-methoxybenzamide (CID 41370948) is N-[(2R)-butan-2-yl]-3-iodo-4-methoxybenzamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-3-iodo-4-methoxybenzamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-3-iodo-4-methoxybenzamide is CC[C@@H](C)NC(=O)c1ccc(OC)c(I)c1.
What is the InChIKey of N-[(2R)-butan-2-yl]-3-iodo-4-methoxybenzamide?
The InChIKey is MGJPOMFSUGLCSL-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H16INO2/c1-4-8(2)14-12(15)9-5-6-11(16-3)10(13)7-9/h5-8H,4H2,1-3H3,(H,14,15)/t8-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-3-iodo-4-methoxybenzamide?
N-[(2R)-butan-2-yl]-3-iodo-4-methoxybenzamide has a molecular weight of 333.17 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-3-iodo-4-methoxybenzamide is sourced from PubChem (CID 41370948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).