2-iodo-N-(2-propan-2-ylphenyl)benzamide

C16H16INO — CID 615900

IUPAC2-iodo-N-(2-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccccc1NC(=O)c1ccccc1I
InChIInChI=1S/C16H16INO/c1-11(2)12-7-4-6-10-15(12)18-16(19)13-8-3-5-9-14(13)17/h3-11H,1-2H3,(H,18,19)
InChIKeyKQKGUXZOTRHTKF-UHFFFAOYSA-N
MW365.21 g/mol
LogP4.67
Rot. Bonds3

About 2-iodo-N-(2-propan-2-ylphenyl)benzamide

2-iodo-N-(2-propan-2-ylphenyl)benzamide (PubChem CID 615900) has the molecular formula C16H16INO and a molecular weight of 365.21 g/mol. Its IUPAC name is 2-iodo-N-(2-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name2-iodo-N-(2-propan-2-ylphenyl)benzamide
PubChem CID615900
Molecular FormulaC16H16INO
Molecular Weight365.21 g/mol
Exact Mass365.03
IUPAC Name2-iodo-N-(2-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccccc1NC(=O)c1ccccc1I
InChIInChI=1S/C16H16INO/c1-11(2)12-7-4-6-10-15(12)18-16(19)13-8-3-5-9-14(13)17/h3-11H,1-2H3,(H,18,19)
InChIKeyKQKGUXZOTRHTKF-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

2-iodo-N-(2-methylsulfanylphenyl)benzamide
CID 1250224
N-(2-propan-2-ylphenyl)benzamide
CID 723391
[2-[(2-propan-2-ylphenyl)carbamoyl]phenyl] acetate
CID 720313
2-iodo-N-[2-(3-methylbutanoyl)phenyl]benzamide
CID 66968688
2-isocyanato-N-(2-propan-2-ylphenyl)benzamide
CID 169354557
2-methoxy-3-methyl-N-(2-propan-2-ylphenyl)benzamide
CID 17101838
2,5-dichloro-N-(2-propan-2-ylphenyl)benzamide
CID 966223
2,5-dihydroxy-N-(2-propan-2-ylphenyl)benzamide
CID 103891803
N-[(2S)-butan-2-yl]-2-[(2-iodobenzoyl)amino]benzamide
CID 26244706
1,2,5-trimethyl-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide
CID 125145147
N-(2-propan-2-ylphenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 98001091
3-(methanesulfonamido)-2-methyl-N-(2-propan-2-ylphenyl)benzamide
CID 41448887

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-(2-propan-2-ylphenyl)benzamide?
The IUPAC name of 2-iodo-N-(2-propan-2-ylphenyl)benzamide (CID 615900) is 2-iodo-N-(2-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 2-iodo-N-(2-propan-2-ylphenyl)benzamide?
The canonical SMILES for 2-iodo-N-(2-propan-2-ylphenyl)benzamide is CC(C)c1ccccc1NC(=O)c1ccccc1I.
What is the InChIKey of 2-iodo-N-(2-propan-2-ylphenyl)benzamide?
The InChIKey is KQKGUXZOTRHTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16INO/c1-11(2)12-7-4-6-10-15(12)18-16(19)13-8-3-5-9-14(13)17/h3-11H,1-2H3,(H,18,19).
What are the key properties of 2-iodo-N-(2-propan-2-ylphenyl)benzamide?
2-iodo-N-(2-propan-2-ylphenyl)benzamide 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 2-iodo-N-(2-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 615900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).