2-iodo-3-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide

C14H19IN2O2 — CID 47221536

IUPAC2-iodo-3-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
SMILESCc1cccc(C(=O)NCCC(=O)NC(C)C)c1I
InChIInChI=1S/C14H19IN2O2/c1-9(2)17-12(18)7-8-16-14(19)11-6-4-5-10(3)13(11)15/h4-6,9H,7-8H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyPRLHFJNIDOCHDS-UHFFFAOYSA-N
MW374.22 g/mol
LogP2.24
Rot. Bonds5

About 2-iodo-3-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide

2-iodo-3-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide (PubChem CID 47221536) has the molecular formula C14H19IN2O2 and a molecular weight of 374.22 g/mol. Its IUPAC name is 2-iodo-3-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide.

Molecular Properties

Compound Name2-iodo-3-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
PubChem CID47221536
Molecular FormulaC14H19IN2O2
Molecular Weight374.22 g/mol
Exact Mass374.05
IUPAC Name2-iodo-3-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
SMILESCc1cccc(C(=O)NCCC(=O)NC(C)C)c1I
InChIInChI=1S/C14H19IN2O2/c1-9(2)17-12(18)7-8-16-14(19)11-6-4-5-10(3)13(11)15/h4-6,9H,7-8H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyPRLHFJNIDOCHDS-UHFFFAOYSA-N
XLogP2.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.22
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 47165784
N-(3-aminobutyl)-2-iodo-3-methylbenzamide
CID 103806260
2-iodo-3-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 51118177
2-hydroxy-3-methoxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 115670745
N-ethyl-2-iodo-3-methylbenzamide
CID 69076024
N-[3-(butan-2-ylamino)-3-oxopropyl]-2-fluoro-3-methylbenzamide
CID 80718445
2-iodo-3-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide
CID 113265693
N-[2-(dimethylamino)propyl]-2-iodo-3-methylbenzamide
CID 51081725
3-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoyl]benzoic acid
CID 115596261
2-iodo-N-[2-(2-methoxyethoxy)ethyl]-3-methylbenzamide
CID 113223555
2-[2-oxo-2-[[3-oxo-3-(propan-2-ylamino)propyl]amino]ethyl]benzoic acid
CID 115923717
N-(2-cyclopropylethyl)-2-iodo-3-methylbenzamide
CID 103708603

Frequently Asked Questions

What is the IUPAC name of 2-iodo-3-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide?
The IUPAC name of 2-iodo-3-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide (CID 47221536) is 2-iodo-3-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide.
What is the SMILES notation for 2-iodo-3-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide?
The canonical SMILES for 2-iodo-3-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide is Cc1cccc(C(=O)NCCC(=O)NC(C)C)c1I.
What is the InChIKey of 2-iodo-3-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide?
The InChIKey is PRLHFJNIDOCHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN2O2/c1-9(2)17-12(18)7-8-16-14(19)11-6-4-5-10(3)13(11)15/h4-6,9H,7-8H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 2-iodo-3-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide?
2-iodo-3-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide has a molecular weight of 374.22 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-3-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide is sourced from PubChem (CID 47221536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).