N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-2-hydroxypropanamide

C11H13ClFNO2 — CID 115140743

IUPACN-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-2-hydroxypropanamide
SMILESCc1cc(Cl)c(CNC(=O)C(C)O)cc1F
InChIInChI=1S/C11H13ClFNO2/c1-6-3-9(12)8(4-10(6)13)5-14-11(16)7(2)15/h3-4,7,15H,5H2,1-2H3,(H,14,16)
InChIKeyYNPNFEONNCLSBB-UHFFFAOYSA-N
MW245.68 g/mol
LogP1.78
Rot. Bonds3

About N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-2-hydroxypropanamide

N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-2-hydroxypropanamide (PubChem CID 115140743) has the molecular formula C11H13ClFNO2 and a molecular weight of 245.68 g/mol. Its IUPAC name is N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-2-hydroxypropanamide.

Molecular Properties

Compound NameN-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-2-hydroxypropanamide
PubChem CID115140743
Molecular FormulaC11H13ClFNO2
Molecular Weight245.68 g/mol
Exact Mass245.06
IUPAC NameN-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-2-hydroxypropanamide
SMILESCc1cc(Cl)c(CNC(=O)C(C)O)cc1F
InChIInChI=1S/C11H13ClFNO2/c1-6-3-9(12)8(4-10(6)13)5-14-11(16)7(2)15/h3-4,7,15H,5H2,1-2H3,(H,14,16)
InChIKeyYNPNFEONNCLSBB-UHFFFAOYSA-N
XLogP1.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.68
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-3-hydroxypropanamide
CID 115179929
N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]carbamoyl bromide
CID 115193690
3-[(2-chloro-5-fluoro-4-methylphenyl)methylamino]-3-oxopropanoic acid
CID 115163441
N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-2,2,2-trifluoroacetamide
CID 115190282
[(2-chloro-5-fluoro-4-methylphenyl)methylamino]methanol
CID 115229083
(2-chloro-5-fluoro-4-methylphenyl)methylhydrazine
CID 116932376
3-[(2-chloro-5-fluoro-4-methylphenyl)methylamino]propane-1,2-diol
CID 115122159
methyl (2S)-2-amino-3-(2-chloro-5-fluoro-4-methylphenyl)propanoate
CID 171238453
1-chloro-4-fluoro-2-(fluoromethyl)-5-methylbenzene
CID 131118728
methyl 2-amino-4-(2-chloro-5-fluoro-4-methylphenyl)butanoate
CID 116851552
2-(2-chloro-4-fluoro-5-methylphenyl)acetic acid
CID 119005832
methyl 4-(2-chloro-5-fluoro-4-methylphenyl)butanoate
CID 116927514

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-2-hydroxypropanamide?
The IUPAC name of N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-2-hydroxypropanamide (CID 115140743) is N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-2-hydroxypropanamide.
What is the SMILES notation for N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-2-hydroxypropanamide?
The canonical SMILES for N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-2-hydroxypropanamide is Cc1cc(Cl)c(CNC(=O)C(C)O)cc1F.
What is the InChIKey of N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-2-hydroxypropanamide?
The InChIKey is YNPNFEONNCLSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO2/c1-6-3-9(12)8(4-10(6)13)5-14-11(16)7(2)15/h3-4,7,15H,5H2,1-2H3,(H,14,16).
What are the key properties of N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-2-hydroxypropanamide?
N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-2-hydroxypropanamide has a molecular weight of 245.68 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-2-hydroxypropanamide is sourced from PubChem (CID 115140743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).