N-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-thiophen-2-ylacetamide

C14H13ClFNO2S — CID 75498486

IUPACN-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NC(CO)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H13ClFNO2S/c15-11-4-3-9(6-12(11)16)13(8-18)17-14(19)7-10-2-1-5-20-10/h1-6,13,18H,7-8H2,(H,17,19)
InChIKeyMEFZZZQYLRUKJU-UHFFFAOYSA-N
MW313.78 g/mol
LogP2.93
Rot. Bonds5

About N-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-thiophen-2-ylacetamide

N-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-thiophen-2-ylacetamide (PubChem CID 75498486) has the molecular formula C14H13ClFNO2S and a molecular weight of 313.78 g/mol. Its IUPAC name is N-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-thiophen-2-ylacetamide
PubChem CID75498486
Molecular FormulaC14H13ClFNO2S
Molecular Weight313.78 g/mol
Exact Mass313.03
IUPAC NameN-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NC(CO)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H13ClFNO2S/c15-11-4-3-9(6-12(11)16)13(8-18)17-14(19)7-10-2-1-5-20-10/h1-6,13,18H,7-8H2,(H,17,19)
InChIKeyMEFZZZQYLRUKJU-UHFFFAOYSA-N
XLogP2.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]carbamic acid
CID 138733242
N-benzhydryl-2-thiophen-2-ylacetamide
CID 785978
N-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-(methoxymethyl)thiophene-2-carboxamide
CID 110009871
N-(2-chloro-1-phenylethyl)-2-thiophen-2-ylacetamide
CID 113272323
1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpropan-1-ol
CID 65149932
1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpropan-1-amine
CID 107993297
N-[(2R)-1-hydroxypropan-2-yl]-2-thiophen-2-ylacetamide
CID 39086744
N-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-fluoropyridine-4-carboxamide
CID 86800518
4-acetyl-N-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]benzamide
CID 99699618
N-[(R)-(3,4-dimethylphenyl)-phenylmethyl]-2-thiophen-2-ylacetamide
CID 32576120
(3R)-3-(3-bromophenyl)-3-[(2-thiophen-2-ylacetyl)amino]propanoic acid
CID 100633806
N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-2-thiophen-2-ylacetamide
CID 99779945

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-thiophen-2-ylacetamide (CID 75498486) is N-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NC(CO)c1ccc(Cl)c(F)c1.
What is the InChIKey of N-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-thiophen-2-ylacetamide?
The InChIKey is MEFZZZQYLRUKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO2S/c15-11-4-3-9(6-12(11)16)13(8-18)17-14(19)7-10-2-1-5-20-10/h1-6,13,18H,7-8H2,(H,17,19).
What are the key properties of N-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-thiophen-2-ylacetamide?
N-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-thiophen-2-ylacetamide has a molecular weight of 313.78 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 75498486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).