N-[2-(5-chloro-2-fluorophenyl)ethyl]-3-hydroxypropanamide

C11H13ClFNO2 — CID 115139327

IUPACN-[2-(5-chloro-2-fluorophenyl)ethyl]-3-hydroxypropanamide
SMILESO=C(CCO)NCCc1cc(Cl)ccc1F
InChIInChI=1S/C11H13ClFNO2/c12-9-1-2-10(13)8(7-9)3-5-14-11(16)4-6-15/h1-2,7,15H,3-6H2,(H,14,16)
InChIKeySDWVIQRCPIRMPC-UHFFFAOYSA-N
MW245.68 g/mol
LogP1.52
Rot. Bonds5

About N-[2-(5-chloro-2-fluorophenyl)ethyl]-3-hydroxypropanamide

N-[2-(5-chloro-2-fluorophenyl)ethyl]-3-hydroxypropanamide (PubChem CID 115139327) has the molecular formula C11H13ClFNO2 and a molecular weight of 245.68 g/mol. Its IUPAC name is N-[2-(5-chloro-2-fluorophenyl)ethyl]-3-hydroxypropanamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2-fluorophenyl)ethyl]-3-hydroxypropanamide
PubChem CID115139327
Molecular FormulaC11H13ClFNO2
Molecular Weight245.68 g/mol
Exact Mass245.06
IUPAC NameN-[2-(5-chloro-2-fluorophenyl)ethyl]-3-hydroxypropanamide
SMILESO=C(CCO)NCCc1cc(Cl)ccc1F
InChIInChI=1S/C11H13ClFNO2/c12-9-1-2-10(13)8(7-9)3-5-14-11(16)4-6-15/h1-2,7,15H,3-6H2,(H,14,16)
InChIKeySDWVIQRCPIRMPC-UHFFFAOYSA-N
XLogP1.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.68
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-2-fluorophenyl)-N-(2-hydroxyethyl)acetamide
CID 82475017
1-amino-3-[2-(5-chloro-2-fluorophenyl)ethyl]urea
CID 115192937
3-(2,5-difluorophenyl)-N-(2-hydroxyethyl)propanamide
CID 110902844
N-[2-(2,4-dichlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 2713418
N-[2-(5-chloro-2-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 110790543
4-[2-(2,4-dichlorophenyl)ethylamino]-4-oxobutanoic acid
CID 9151806
N-(5-chloro-2-fluorophenyl)-3-hydroxypropanamide
CID 115138756
2-amino-N-[2-(2,5-difluorophenyl)ethyl]acetamide
CID 82492756
1-[2-(2,5-difluorophenyl)ethyl]-3-(2-hydroxyethyl)urea
CID 111573173
N-[2-(2,5-difluorophenyl)ethyl]propanamide
CID 71113752
N-[(5-chloro-2-fluorophenyl)methyl]-3-sulfanylpropanamide
CID 115167873
N-[2-(2,5-difluorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 110788175

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-fluorophenyl)ethyl]-3-hydroxypropanamide?
The IUPAC name of N-[2-(5-chloro-2-fluorophenyl)ethyl]-3-hydroxypropanamide (CID 115139327) is N-[2-(5-chloro-2-fluorophenyl)ethyl]-3-hydroxypropanamide.
What is the SMILES notation for N-[2-(5-chloro-2-fluorophenyl)ethyl]-3-hydroxypropanamide?
The canonical SMILES for N-[2-(5-chloro-2-fluorophenyl)ethyl]-3-hydroxypropanamide is O=C(CCO)NCCc1cc(Cl)ccc1F.
What is the InChIKey of N-[2-(5-chloro-2-fluorophenyl)ethyl]-3-hydroxypropanamide?
The InChIKey is SDWVIQRCPIRMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO2/c12-9-1-2-10(13)8(7-9)3-5-14-11(16)4-6-15/h1-2,7,15H,3-6H2,(H,14,16).
What are the key properties of N-[2-(5-chloro-2-fluorophenyl)ethyl]-3-hydroxypropanamide?
N-[2-(5-chloro-2-fluorophenyl)ethyl]-3-hydroxypropanamide has a molecular weight of 245.68 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-fluorophenyl)ethyl]-3-hydroxypropanamide is sourced from PubChem (CID 115139327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).