4,5-difluoro-2-iodo-N-[2-(methylamino)propyl]benzamide

C11H13F2IN2O — CID 120827537

IUPAC4,5-difluoro-2-iodo-N-[2-(methylamino)propyl]benzamide
SMILESCNC(C)CNC(=O)c1cc(F)c(F)cc1I
InChIInChI=1S/C11H13F2IN2O/c1-6(15-2)5-16-11(17)7-3-8(12)9(13)4-10(7)14/h3-4,6,15H,5H2,1-2H3,(H,16,17)
InChIKeyJIEVPLKBMUFIPJ-UHFFFAOYSA-N
MW354.14 g/mol
LogP1.91
Rot. Bonds4

About 4,5-difluoro-2-iodo-N-[2-(methylamino)propyl]benzamide

4,5-difluoro-2-iodo-N-[2-(methylamino)propyl]benzamide (PubChem CID 120827537) has the molecular formula C11H13F2IN2O and a molecular weight of 354.14 g/mol. Its IUPAC name is 4,5-difluoro-2-iodo-N-[2-(methylamino)propyl]benzamide.

Molecular Properties

Compound Name4,5-difluoro-2-iodo-N-[2-(methylamino)propyl]benzamide
PubChem CID120827537
Molecular FormulaC11H13F2IN2O
Molecular Weight354.14 g/mol
Exact Mass354.00
IUPAC Name4,5-difluoro-2-iodo-N-[2-(methylamino)propyl]benzamide
SMILESCNC(C)CNC(=O)c1cc(F)c(F)cc1I
InChIInChI=1S/C11H13F2IN2O/c1-6(15-2)5-16-11(17)7-3-8(12)9(13)4-10(7)14/h3-4,6,15H,5H2,1-2H3,(H,16,17)
InChIKeyJIEVPLKBMUFIPJ-UHFFFAOYSA-N
XLogP1.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.14
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2,4-difluoro-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120832356
5-bromo-2-fluoro-N-[2-(methylamino)propyl]benzamide
CID 120827060
2,3,4-trifluoro-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120827825
5-fluoro-2-methyl-N-[2-(methylamino)propyl]benzamide
CID 103512684
2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzamide
CID 103512650
2,3,4,5-tetrafluoro-N-[(2R)-2-hydroxypropyl]benzamide
CID 83058281
4-fluoro-N-[2-(methylamino)propyl]-2-nitrobenzamide
CID 120832941
(2R)-2-[(4,5-difluoro-2-iodobenzoyl)amino]-4-methylpentanoic acid
CID 119364479
3-chloro-4-iodo-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120829252
N-(1-amino-4-methylpentan-2-yl)-4,5-difluoro-2-iodobenzamide
CID 119586236
N-[2-(methylamino)propyl]-2-methylsulfanylbenzamide;hydrochloride
CID 120831488
4,5-difluoro-2-iodo-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119510965

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-2-iodo-N-[2-(methylamino)propyl]benzamide?
The IUPAC name of 4,5-difluoro-2-iodo-N-[2-(methylamino)propyl]benzamide (CID 120827537) is 4,5-difluoro-2-iodo-N-[2-(methylamino)propyl]benzamide.
What is the SMILES notation for 4,5-difluoro-2-iodo-N-[2-(methylamino)propyl]benzamide?
The canonical SMILES for 4,5-difluoro-2-iodo-N-[2-(methylamino)propyl]benzamide is CNC(C)CNC(=O)c1cc(F)c(F)cc1I.
What is the InChIKey of 4,5-difluoro-2-iodo-N-[2-(methylamino)propyl]benzamide?
The InChIKey is JIEVPLKBMUFIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2IN2O/c1-6(15-2)5-16-11(17)7-3-8(12)9(13)4-10(7)14/h3-4,6,15H,5H2,1-2H3,(H,16,17).
What are the key properties of 4,5-difluoro-2-iodo-N-[2-(methylamino)propyl]benzamide?
4,5-difluoro-2-iodo-N-[2-(methylamino)propyl]benzamide has a molecular weight of 354.14 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-2-iodo-N-[2-(methylamino)propyl]benzamide is sourced from PubChem (CID 120827537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).