5-amino-2,3-dichloro-N-(3,3-difluoro-2-hydroxypropyl)benzamide

C10H10Cl2F2N2O2 — CID 114092848

IUPAC5-amino-2,3-dichloro-N-(3,3-difluoro-2-hydroxypropyl)benzamide
SMILESNc1cc(Cl)c(Cl)c(C(=O)NCC(O)C(F)F)c1
InChIInChI=1S/C10H10Cl2F2N2O2/c11-6-2-4(15)1-5(8(6)12)10(18)16-3-7(17)9(13)14/h1-2,7,9,17H,3,15H2,(H,16,18)
InChIKeyMSPYTWDQJYMVIJ-UHFFFAOYSA-N
MW299.10 g/mol
LogP1.93
Rot. Bonds4

About 5-amino-2,3-dichloro-N-(3,3-difluoro-2-hydroxypropyl)benzamide

5-amino-2,3-dichloro-N-(3,3-difluoro-2-hydroxypropyl)benzamide (PubChem CID 114092848) has the molecular formula C10H10Cl2F2N2O2 and a molecular weight of 299.10 g/mol. Its IUPAC name is 5-amino-2,3-dichloro-N-(3,3-difluoro-2-hydroxypropyl)benzamide.

Molecular Properties

Compound Name5-amino-2,3-dichloro-N-(3,3-difluoro-2-hydroxypropyl)benzamide
PubChem CID114092848
Molecular FormulaC10H10Cl2F2N2O2
Molecular Weight299.10 g/mol
Exact Mass298.01
IUPAC Name5-amino-2,3-dichloro-N-(3,3-difluoro-2-hydroxypropyl)benzamide
SMILESNc1cc(Cl)c(Cl)c(C(=O)NCC(O)C(F)F)c1
InChIInChI=1S/C10H10Cl2F2N2O2/c11-6-2-4(15)1-5(8(6)12)10(18)16-3-7(17)9(13)14/h1-2,7,9,17H,3,15H2,(H,16,18)
InChIKeyMSPYTWDQJYMVIJ-UHFFFAOYSA-N
XLogP1.93
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.10
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2,3-dichloro-N-(2-hydroxy-3-methylbutyl)benzamide
CID 107185931
5-amino-2,3-dichloro-N-[(2R)-2-hydroxypropyl]benzamide
CID 107211060
2-chloro-N-(3,3-difluoro-2-hydroxypropyl)benzamide
CID 103770297
5-amino-2,3-dichloro-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 107183561
4-chloro-N-(3,3-difluoro-2-hydroxypropyl)-6-methylpyridine-3-carboxamide
CID 114093375
5-amino-2,3-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107229457
5-amino-2,3-dichloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]benzamide
CID 107185802
5-amino-2,3-dichloro-N-[(2-fluorophenyl)methyl]benzamide
CID 107183203
5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2,3-dichlorobenzamide
CID 107185636
5-amino-2,3-dichloro-N-(3-sulfamoylpropyl)benzamide
CID 107184918
5-amino-2,3-dichloro-N-[3-oxo-3-(propylamino)propyl]benzamide
CID 107184920
5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-4-iodo-2-methoxybenzamide
CID 103770514

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dichloro-N-(3,3-difluoro-2-hydroxypropyl)benzamide?
The IUPAC name of 5-amino-2,3-dichloro-N-(3,3-difluoro-2-hydroxypropyl)benzamide (CID 114092848) is 5-amino-2,3-dichloro-N-(3,3-difluoro-2-hydroxypropyl)benzamide.
What is the SMILES notation for 5-amino-2,3-dichloro-N-(3,3-difluoro-2-hydroxypropyl)benzamide?
The canonical SMILES for 5-amino-2,3-dichloro-N-(3,3-difluoro-2-hydroxypropyl)benzamide is Nc1cc(Cl)c(Cl)c(C(=O)NCC(O)C(F)F)c1.
What is the InChIKey of 5-amino-2,3-dichloro-N-(3,3-difluoro-2-hydroxypropyl)benzamide?
The InChIKey is MSPYTWDQJYMVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2F2N2O2/c11-6-2-4(15)1-5(8(6)12)10(18)16-3-7(17)9(13)14/h1-2,7,9,17H,3,15H2,(H,16,18).
What are the key properties of 5-amino-2,3-dichloro-N-(3,3-difluoro-2-hydroxypropyl)benzamide?
5-amino-2,3-dichloro-N-(3,3-difluoro-2-hydroxypropyl)benzamide has a molecular weight of 299.10 g/mol, XLogP of 1.93, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-dichloro-N-(3,3-difluoro-2-hydroxypropyl)benzamide is sourced from PubChem (CID 114092848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).