4-iodo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide

C11H13IN2O2 — CID 47315821

IUPAC4-iodo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
SMILESCNC(=O)C(C)NC(=O)c1ccc(I)cc1
InChIInChI=1S/C11H13IN2O2/c1-7(10(15)13-2)14-11(16)8-3-5-9(12)6-4-8/h3-7H,1-2H3,(H,13,15)(H,14,16)
InChIKeyOCAZXWOXTCMTBZ-UHFFFAOYSA-N
MW332.14 g/mol
LogP1.16
Rot. Bonds3

About 4-iodo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide

4-iodo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide (PubChem CID 47315821) has the molecular formula C11H13IN2O2 and a molecular weight of 332.14 g/mol. Its IUPAC name is 4-iodo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name4-iodo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
PubChem CID47315821
Molecular FormulaC11H13IN2O2
Molecular Weight332.14 g/mol
Exact Mass332.00
IUPAC Name4-iodo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
SMILESCNC(=O)C(C)NC(=O)c1ccc(I)cc1
InChIInChI=1S/C11H13IN2O2/c1-7(10(15)13-2)14-11(16)8-3-5-9(12)6-4-8/h3-7H,1-2H3,(H,13,15)(H,14,16)
InChIKeyOCAZXWOXTCMTBZ-UHFFFAOYSA-N
XLogP1.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.14
LogP ≤ 51.16
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

Procarbazine
CID 4915
N-Methylbenzamide
CID 11954
N-Propylbenzamide
CID 25354
N-benzoylglycinate
CID 4402710
N-(2-Iodobenzoyl)glycine
CID 8614
Amylase
CID 71475145
Iodohippurate Sodium
CID 23689317
N-Ethylbenzamide
CID 11959
N-Butylbenzamide
CID 76024
1-Benzoylpiperazine
CID 762654
N-Benzoylbenzylamine
CID 73878
N-Phenacylbenzamide
CID 259631

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide?
The IUPAC name of 4-iodo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide (CID 47315821) is 4-iodo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 4-iodo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 4-iodo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide is CNC(=O)C(C)NC(=O)c1ccc(I)cc1.
What is the InChIKey of 4-iodo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide?
The InChIKey is OCAZXWOXTCMTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IN2O2/c1-7(10(15)13-2)14-11(16)8-3-5-9(12)6-4-8/h3-7H,1-2H3,(H,13,15)(H,14,16).
What are the key properties of 4-iodo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide?
4-iodo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide has a molecular weight of 332.14 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 47315821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).