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

C14H19IN2O2 — CID 60776174

IUPAC2-iodo-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
SMILESCNC(=O)C(CC(C)C)NC(=O)c1ccccc1I
InChIInChI=1S/C14H19IN2O2/c1-9(2)8-12(14(19)16-3)17-13(18)10-6-4-5-7-11(10)15/h4-7,9,12H,8H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyQSFQNTCOZMAXBW-UHFFFAOYSA-N
MW374.22 g/mol
LogP2.18
Rot. Bonds5

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

2-iodo-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide (PubChem CID 60776174) has the molecular formula C14H19IN2O2 and a molecular weight of 374.22 g/mol. Its IUPAC name is 2-iodo-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
PubChem CID60776174
Molecular FormulaC14H19IN2O2
Molecular Weight374.22 g/mol
Exact Mass374.05
IUPAC Name2-iodo-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
SMILESCNC(=O)C(CC(C)C)NC(=O)c1ccccc1I
InChIInChI=1S/C14H19IN2O2/c1-9(2)8-12(14(19)16-3)17-13(18)10-6-4-5-7-11(10)15/h4-7,9,12H,8H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyQSFQNTCOZMAXBW-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
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

methyl (2S)-2-[(2-iodobenzoyl)amino]-4-methylpentanoate
CID 1224241
2-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]benzoic acid
CID 60940712
N-(1-chloro-4-methylpentan-2-yl)-2-iodobenzamide
CID 114300843
3-bromo-2-chloro-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
CID 103994750
N-butan-2-yl-2-iodobenzamide
CID 3344108
N-(1-bromo-3-methylbutan-2-yl)-2-iodobenzamide
CID 114316113
2-bromo-N-[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 163212007
2-[(2-iodobenzoyl)amino]-3-sulfanylpropanoic acid
CID 16775410
2-iodo-N-(2-methylpentan-3-yl)benzamide
CID 61465043
4-fluoro-2-methyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
CID 115745769
2-iodo-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 92677839
2-[(2-iodobenzoyl)amino]-4-methoxybutanoic acid
CID 55076619

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide?
The IUPAC name of 2-iodo-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide (CID 60776174) is 2-iodo-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for 2-iodo-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide?
The canonical SMILES for 2-iodo-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide is CNC(=O)C(CC(C)C)NC(=O)c1ccccc1I.
What is the InChIKey of 2-iodo-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide?
The InChIKey is QSFQNTCOZMAXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN2O2/c1-9(2)8-12(14(19)16-3)17-13(18)10-6-4-5-7-11(10)15/h4-7,9,12H,8H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 2-iodo-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide?
2-iodo-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide has a molecular weight of 374.22 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 60776174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).