N-(3-amino-2-hydroxy-3-oxopropyl)-4-chloro-2,5-difluorobenzamide

C10H9ClF2N2O3 — CID 106165772

IUPACN-(3-amino-2-hydroxy-3-oxopropyl)-4-chloro-2,5-difluorobenzamide
SMILESNC(=O)C(O)CNC(=O)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C10H9ClF2N2O3/c11-5-2-6(12)4(1-7(5)13)10(18)15-3-8(16)9(14)17/h1-2,8,16H,3H2,(H2,14,17)(H,15,18)
InChIKeyJLHIMVKWMYKFMU-UHFFFAOYSA-N
MW278.64 g/mol
LogP0.19
Rot. Bonds4

About N-(3-amino-2-hydroxy-3-oxopropyl)-4-chloro-2,5-difluorobenzamide

N-(3-amino-2-hydroxy-3-oxopropyl)-4-chloro-2,5-difluorobenzamide (PubChem CID 106165772) has the molecular formula C10H9ClF2N2O3 and a molecular weight of 278.64 g/mol. Its IUPAC name is N-(3-amino-2-hydroxy-3-oxopropyl)-4-chloro-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxy-3-oxopropyl)-4-chloro-2,5-difluorobenzamide
PubChem CID106165772
Molecular FormulaC10H9ClF2N2O3
Molecular Weight278.64 g/mol
Exact Mass278.03
IUPAC NameN-(3-amino-2-hydroxy-3-oxopropyl)-4-chloro-2,5-difluorobenzamide
SMILESNC(=O)C(O)CNC(=O)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C10H9ClF2N2O3/c11-5-2-6(12)4(1-7(5)13)10(18)15-3-8(16)9(14)17/h1-2,8,16H,3H2,(H2,14,17)(H,15,18)
InChIKeyJLHIMVKWMYKFMU-UHFFFAOYSA-N
XLogP0.19
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.64
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-2-hydroxy-3-oxopropyl)-4-chloro-2-fluorobenzamide
CID 107261069
4-chloro-2,5-difluoro-N-(2-hydroxypropyl)benzamide
CID 82771930
4-chloro-2,5-difluoro-N-(2-methylpropyl)benzamide
CID 82772630
2-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-4,5-difluorobenzamide
CID 114152397
4-chloro-2,5-difluoro-N-(2-hydroxypentyl)benzamide
CID 115869290
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-4-chloro-2,5-difluorobenzamide
CID 82772683
4-[(4-chloro-2,5-difluorobenzoyl)amino]-3-methylbutanoic acid
CID 82782525
N-[(2S)-1-amino-1-oxopropan-2-yl]-4-chloro-2,5-difluorobenzamide
CID 86785546
N-(4-aminobutyl)-4-chloro-2,5-difluorobenzamide
CID 82783569
N-(3-amino-2-hydroxy-3-oxopropyl)-5-chloro-2-iodobenzamide
CID 107261187
4-chloro-2,5-difluoro-N-(2-oxopropyl)benzamide
CID 82772458
4-chloro-2,5-difluoro-N-(5-hydroxypentyl)benzamide
CID 107318738

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-4-chloro-2,5-difluorobenzamide?
The IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-4-chloro-2,5-difluorobenzamide (CID 106165772) is N-(3-amino-2-hydroxy-3-oxopropyl)-4-chloro-2,5-difluorobenzamide.
What is the SMILES notation for N-(3-amino-2-hydroxy-3-oxopropyl)-4-chloro-2,5-difluorobenzamide?
The canonical SMILES for N-(3-amino-2-hydroxy-3-oxopropyl)-4-chloro-2,5-difluorobenzamide is NC(=O)C(O)CNC(=O)c1cc(F)c(Cl)cc1F.
What is the InChIKey of N-(3-amino-2-hydroxy-3-oxopropyl)-4-chloro-2,5-difluorobenzamide?
The InChIKey is JLHIMVKWMYKFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF2N2O3/c11-5-2-6(12)4(1-7(5)13)10(18)15-3-8(16)9(14)17/h1-2,8,16H,3H2,(H2,14,17)(H,15,18).
What are the key properties of N-(3-amino-2-hydroxy-3-oxopropyl)-4-chloro-2,5-difluorobenzamide?
N-(3-amino-2-hydroxy-3-oxopropyl)-4-chloro-2,5-difluorobenzamide has a molecular weight of 278.64 g/mol, XLogP of 0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-hydroxy-3-oxopropyl)-4-chloro-2,5-difluorobenzamide is sourced from PubChem (CID 106165772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).