2-chloro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]acetamide

C11H13ClFNO2 — CID 43701037

IUPAC2-chloro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(F)cc1C(C)NC(=O)CCl
InChIInChI=1S/C11H13ClFNO2/c1-7(14-11(15)6-12)9-5-8(13)3-4-10(9)16-2/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyVYNVEVUTMPXOJG-UHFFFAOYSA-N
MW245.68 g/mol
LogP2.25
Rot. Bonds4

About 2-chloro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]acetamide

2-chloro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]acetamide (PubChem CID 43701037) has the molecular formula C11H13ClFNO2 and a molecular weight of 245.68 g/mol. Its IUPAC name is 2-chloro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]acetamide
PubChem CID43701037
Molecular FormulaC11H13ClFNO2
Molecular Weight245.68 g/mol
Exact Mass245.06
IUPAC Name2-chloro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(F)cc1C(C)NC(=O)CCl
InChIInChI=1S/C11H13ClFNO2/c1-7(14-11(15)6-12)9-5-8(13)3-4-10(9)16-2/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyVYNVEVUTMPXOJG-UHFFFAOYSA-N
XLogP2.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.68
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-aminocyclobutyl)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]acetamide
CID 79853728
(2R)-2-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119292617
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]benzamide
CID 60794723
2-bromo-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-methylbutanamide
CID 43701042
2-chloro-N-[(1S)-1-(3-fluoro-2-methoxyphenyl)ethyl]acetamide
CID 167751096
2-fluoro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]benzamide
CID 60794579
2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]acetamide
CID 86819469
2-chloro-N-[3-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-3-oxopropyl]-4-fluorobenzamide
CID 51955720
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]propanamide
CID 75461361
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)propanamide
CID 9478271
2-(2-bromo-4-fluorophenoxy)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 9262782
4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-chloro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]acetamide (CID 43701037) is 2-chloro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-chloro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-chloro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]acetamide is COc1ccc(F)cc1C(C)NC(=O)CCl.
What is the InChIKey of 2-chloro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]acetamide?
The InChIKey is VYNVEVUTMPXOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO2/c1-7(14-11(15)6-12)9-5-8(13)3-4-10(9)16-2/h3-5,7H,6H2,1-2H3,(H,14,15).
What are the key properties of 2-chloro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]acetamide?
2-chloro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]acetamide has a molecular weight of 245.68 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 43701037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).