2,4-dichloro-5-fluoro-N-[(2S)-1-methoxypropan-2-yl]benzamide

C11H12Cl2FNO2 — CID 30481632

IUPAC2,4-dichloro-5-fluoro-N-[(2S)-1-methoxypropan-2-yl]benzamide
SMILESCOC[C@H](C)NC(=O)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C11H12Cl2FNO2/c1-6(5-17-2)15-11(16)7-3-10(14)9(13)4-8(7)12/h3-4,6H,5H2,1-2H3,(H,15,16)/t6-/m0/s1
InChIKeyDCFCBRHUWZVPQX-LURJTMIESA-N
MW280.13 g/mol
LogP2.90
Rot. Bonds4

About 2,4-dichloro-5-fluoro-N-[(2S)-1-methoxypropan-2-yl]benzamide

2,4-dichloro-5-fluoro-N-[(2S)-1-methoxypropan-2-yl]benzamide (PubChem CID 30481632) has the molecular formula C11H12Cl2FNO2 and a molecular weight of 280.13 g/mol. Its IUPAC name is 2,4-dichloro-5-fluoro-N-[(2S)-1-methoxypropan-2-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-5-fluoro-N-[(2S)-1-methoxypropan-2-yl]benzamide
PubChem CID30481632
Molecular FormulaC11H12Cl2FNO2
Molecular Weight280.13 g/mol
Exact Mass279.02
IUPAC Name2,4-dichloro-5-fluoro-N-[(2S)-1-methoxypropan-2-yl]benzamide
SMILESCOC[C@H](C)NC(=O)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C11H12Cl2FNO2/c1-6(5-17-2)15-11(16)7-3-10(14)9(13)4-8(7)12/h3-4,6H,5H2,1-2H3,(H,15,16)/t6-/m0/s1
InChIKeyDCFCBRHUWZVPQX-LURJTMIESA-N
XLogP2.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.13
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4,5-difluoro-N-(1-methoxypropan-2-yl)benzamide
CID 51072684
2,4-dichloro-N-(1-methoxypropan-2-yl)-5-sulfamoylbenzamide
CID 60637644
2,4-dichloro-5-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide
CID 79252938
2,4-dichloro-N-(1,3-dihydroxypropan-2-yl)-5-fluorobenzamide
CID 65315016
2,4-dichloro-5-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 18275060
2-chloro-4,5-difluoro-N-(4-hydroxypentan-2-yl)benzamide
CID 113376554
5-chloro-2-methoxy-N-[(2S)-1-methoxypropan-2-yl]benzamide
CID 670791
4-chloro-N-(4-chloro-1-methoxybutan-2-yl)-2,5-difluorobenzamide
CID 106155438
2,4-dichloro-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-5-fluorobenzamide
CID 60573604
2,4-dichloro-5-fluoro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 46436682
3,5-dichloro-N-[(2R)-1-methoxypropan-2-yl]benzamide
CID 30481549
4-amino-3,5-difluoro-N-(1-methoxypropan-2-yl)benzamide
CID 55158856

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-fluoro-N-[(2S)-1-methoxypropan-2-yl]benzamide?
The IUPAC name of 2,4-dichloro-5-fluoro-N-[(2S)-1-methoxypropan-2-yl]benzamide (CID 30481632) is 2,4-dichloro-5-fluoro-N-[(2S)-1-methoxypropan-2-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-5-fluoro-N-[(2S)-1-methoxypropan-2-yl]benzamide?
The canonical SMILES for 2,4-dichloro-5-fluoro-N-[(2S)-1-methoxypropan-2-yl]benzamide is COC[C@H](C)NC(=O)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-fluoro-N-[(2S)-1-methoxypropan-2-yl]benzamide?
The InChIKey is DCFCBRHUWZVPQX-LURJTMIESA-N. The full InChI is InChI=1S/C11H12Cl2FNO2/c1-6(5-17-2)15-11(16)7-3-10(14)9(13)4-8(7)12/h3-4,6H,5H2,1-2H3,(H,15,16)/t6-/m0/s1.
What are the key properties of 2,4-dichloro-5-fluoro-N-[(2S)-1-methoxypropan-2-yl]benzamide?
2,4-dichloro-5-fluoro-N-[(2S)-1-methoxypropan-2-yl]benzamide has a molecular weight of 280.13 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-fluoro-N-[(2S)-1-methoxypropan-2-yl]benzamide is sourced from PubChem (CID 30481632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).