N-(3-amino-2-hydroxy-3-oxopropyl)-4-chloro-2-fluorobenzamide

C10H10ClFN2O3 — CID 107261069

IUPACN-(3-amino-2-hydroxy-3-oxopropyl)-4-chloro-2-fluorobenzamide
SMILESNC(=O)C(O)CNC(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C10H10ClFN2O3/c11-5-1-2-6(7(12)3-5)10(17)14-4-8(15)9(13)16/h1-3,8,15H,4H2,(H2,13,16)(H,14,17)
InChIKeyPGSNNCMOYVHDJX-UHFFFAOYSA-N
MW260.65 g/mol
LogP0.06
Rot. Bonds4

About N-(3-amino-2-hydroxy-3-oxopropyl)-4-chloro-2-fluorobenzamide

N-(3-amino-2-hydroxy-3-oxopropyl)-4-chloro-2-fluorobenzamide (PubChem CID 107261069) has the molecular formula C10H10ClFN2O3 and a molecular weight of 260.65 g/mol. Its IUPAC name is N-(3-amino-2-hydroxy-3-oxopropyl)-4-chloro-2-fluorobenzamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxy-3-oxopropyl)-4-chloro-2-fluorobenzamide
PubChem CID107261069
Molecular FormulaC10H10ClFN2O3
Molecular Weight260.65 g/mol
Exact Mass260.04
IUPAC NameN-(3-amino-2-hydroxy-3-oxopropyl)-4-chloro-2-fluorobenzamide
SMILESNC(=O)C(O)CNC(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C10H10ClFN2O3/c11-5-1-2-6(7(12)3-5)10(17)14-4-8(15)9(13)16/h1-3,8,15H,4H2,(H2,13,16)(H,14,17)
InChIKeyPGSNNCMOYVHDJX-UHFFFAOYSA-N
XLogP0.06
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.65
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2-hydroxy-3-oxopropyl)-4-chloro-2,5-difluorobenzamide
CID 106165772
N-(3-amino-2-hydroxy-3-oxopropyl)-5-chloro-2-iodobenzamide
CID 107261187
4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 167783306
4-chloro-2-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103723353
4-chloro-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102915104
4-chloro-2-fluoro-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 51681217
(2S)-3-[(2,4-difluorobenzoyl)amino]-2-hydroxypropanoic acid
CID 107833479
2-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-4,5-difluorobenzamide
CID 114152397
N-(3-amino-2-hydroxy-3-oxopropyl)-5-fluoro-2-methylbenzamide
CID 107261331
3-[(4-chloro-2-fluorophenyl)methylamino]-2-hydroxypropanamide
CID 106171926
5-chloro-N-(2,3-dihydroxypropyl)-2-fluorobenzamide
CID 66175370
N-(3-aminopropyl)-4-chloro-2-fluorobenzamide;hydrochloride
CID 119405370

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-4-chloro-2-fluorobenzamide?
The IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-4-chloro-2-fluorobenzamide (CID 107261069) is N-(3-amino-2-hydroxy-3-oxopropyl)-4-chloro-2-fluorobenzamide.
What is the SMILES notation for N-(3-amino-2-hydroxy-3-oxopropyl)-4-chloro-2-fluorobenzamide?
The canonical SMILES for N-(3-amino-2-hydroxy-3-oxopropyl)-4-chloro-2-fluorobenzamide is NC(=O)C(O)CNC(=O)c1ccc(Cl)cc1F.
What is the InChIKey of N-(3-amino-2-hydroxy-3-oxopropyl)-4-chloro-2-fluorobenzamide?
The InChIKey is PGSNNCMOYVHDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN2O3/c11-5-1-2-6(7(12)3-5)10(17)14-4-8(15)9(13)16/h1-3,8,15H,4H2,(H2,13,16)(H,14,17).
What are the key properties of N-(3-amino-2-hydroxy-3-oxopropyl)-4-chloro-2-fluorobenzamide?
N-(3-amino-2-hydroxy-3-oxopropyl)-4-chloro-2-fluorobenzamide has a molecular weight of 260.65 g/mol, XLogP of 0.06, 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-fluorobenzamide is sourced from PubChem (CID 107261069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).