3-chloro-N-[(5-fluoro-2-methoxyphenyl)methyl]propanamide

C11H13ClFNO2 — CID 115162483

IUPAC3-chloro-N-[(5-fluoro-2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(F)cc1CNC(=O)CCCl
InChIInChI=1S/C11H13ClFNO2/c1-16-10-3-2-9(13)6-8(10)7-14-11(15)4-5-12/h2-3,6H,4-5,7H2,1H3,(H,14,15)
InChIKeyACWBRLPKUZJWTB-UHFFFAOYSA-N
MW245.68 g/mol
LogP2.08
Rot. Bonds5

About 3-chloro-N-[(5-fluoro-2-methoxyphenyl)methyl]propanamide

3-chloro-N-[(5-fluoro-2-methoxyphenyl)methyl]propanamide (PubChem CID 115162483) has the molecular formula C11H13ClFNO2 and a molecular weight of 245.68 g/mol. Its IUPAC name is 3-chloro-N-[(5-fluoro-2-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[(5-fluoro-2-methoxyphenyl)methyl]propanamide
PubChem CID115162483
Molecular FormulaC11H13ClFNO2
Molecular Weight245.68 g/mol
Exact Mass245.06
IUPAC Name3-chloro-N-[(5-fluoro-2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(F)cc1CNC(=O)CCCl
InChIInChI=1S/C11H13ClFNO2/c1-16-10-3-2-9(13)6-8(10)7-14-11(15)4-5-12/h2-3,6H,4-5,7H2,1H3,(H,14,15)
InChIKeyACWBRLPKUZJWTB-UHFFFAOYSA-N
XLogP2.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.68
LogP ≤ 52.08
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

4-[(5-fluoro-2-methoxyphenyl)methylamino]-4-oxobutanoic acid
CID 94691306
3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide
CID 82110952
5-[(5-fluoro-2-methoxyphenyl)methylamino]-5-oxopentanoic acid
CID 94696058
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110780208
2-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide
CID 82126824
4-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-4-methylpentanamide
CID 115157575
N-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylbutanamide
CID 110780143
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-oxopropanamide
CID 115175593
2-(3-chlorophenyl)-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide
CID 110780207
4-[(5-fluoro-2-methoxyphenyl)methylamino]-2-methyl-4-oxobutanoic acid
CID 115165071
2,2,2-trifluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide
CID 115190235
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-(3-methylphenyl)acetamide
CID 110780202

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(5-fluoro-2-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-chloro-N-[(5-fluoro-2-methoxyphenyl)methyl]propanamide (CID 115162483) is 3-chloro-N-[(5-fluoro-2-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-chloro-N-[(5-fluoro-2-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-chloro-N-[(5-fluoro-2-methoxyphenyl)methyl]propanamide is COc1ccc(F)cc1CNC(=O)CCCl.
What is the InChIKey of 3-chloro-N-[(5-fluoro-2-methoxyphenyl)methyl]propanamide?
The InChIKey is ACWBRLPKUZJWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO2/c1-16-10-3-2-9(13)6-8(10)7-14-11(15)4-5-12/h2-3,6H,4-5,7H2,1H3,(H,14,15).
What are the key properties of 3-chloro-N-[(5-fluoro-2-methoxyphenyl)methyl]propanamide?
3-chloro-N-[(5-fluoro-2-methoxyphenyl)methyl]propanamide has a molecular weight of 245.68 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(5-fluoro-2-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 115162483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).