2-(4-iodoanilino)-N-methylpropanamide

C10H13IN2O — CID 43086006

IUPAC2-(4-iodoanilino)-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1ccc(I)cc1
InChIInChI=1S/C10H13IN2O/c1-7(10(14)12-2)13-9-5-3-8(11)4-6-9/h3-7,13H,1-2H3,(H,12,14)
InChIKeyKXTOVWSZCJZYMK-UHFFFAOYSA-N
MW304.13 g/mol
LogP1.84
Rot. Bonds3

About 2-(4-iodoanilino)-N-methylpropanamide

2-(4-iodoanilino)-N-methylpropanamide (PubChem CID 43086006) has the molecular formula C10H13IN2O and a molecular weight of 304.13 g/mol. Its IUPAC name is 2-(4-iodoanilino)-N-methylpropanamide.

Molecular Properties

Compound Name2-(4-iodoanilino)-N-methylpropanamide
PubChem CID43086006
Molecular FormulaC10H13IN2O
Molecular Weight304.13 g/mol
Exact Mass304.01
IUPAC Name2-(4-iodoanilino)-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1ccc(I)cc1
InChIInChI=1S/C10H13IN2O/c1-7(10(14)12-2)13-9-5-3-8(11)4-6-9/h3-7,13H,1-2H3,(H,12,14)
InChIKeyKXTOVWSZCJZYMK-UHFFFAOYSA-N
XLogP1.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.13
LogP ≤ 51.84
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

N-cyclopropyl-2-(4-iodoanilino)propanamide
CID 43086001
2-(4-iodoanilino)-N-(3-methylbutyl)propanamide
CID 43112998
2-(4-tert-butylanilino)-N-methylpropanamide
CID 43085951
2-(4-acetylanilino)-N-methylpropanamide
CID 115573414
4-iodo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 47315821
(2S)-N-(4-cyanophenyl)-2-(4-iodoanilino)propanamide
CID 7492581
2-(4-carbamothioylanilino)-N-methylpropanamide
CID 61467405
N-methyl-2-(4-phenoxyanilino)propanamide
CID 43085961
2-(4-ethoxyanilino)-N-methylpropanamide
CID 43085866
2-methyl-N-[4-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]phenyl]propanamide
CID 51178190
(2R)-2-[4-(difluoromethylsulfonyl)anilino]-N-methylpropanamide
CID 133429366
(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-iodoanilino)propanamide
CID 9431005

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodoanilino)-N-methylpropanamide?
The IUPAC name of 2-(4-iodoanilino)-N-methylpropanamide (CID 43086006) is 2-(4-iodoanilino)-N-methylpropanamide.
What is the SMILES notation for 2-(4-iodoanilino)-N-methylpropanamide?
The canonical SMILES for 2-(4-iodoanilino)-N-methylpropanamide is CNC(=O)C(C)Nc1ccc(I)cc1.
What is the InChIKey of 2-(4-iodoanilino)-N-methylpropanamide?
The InChIKey is KXTOVWSZCJZYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN2O/c1-7(10(14)12-2)13-9-5-3-8(11)4-6-9/h3-7,13H,1-2H3,(H,12,14).
What are the key properties of 2-(4-iodoanilino)-N-methylpropanamide?
2-(4-iodoanilino)-N-methylpropanamide has a molecular weight of 304.13 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodoanilino)-N-methylpropanamide is sourced from PubChem (CID 43086006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).