2-fluoro-N-[(3-methylphenyl)methyl]acetamide

C10H12FNO — CID 130011767

IUPAC2-fluoro-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)CF)c1
InChIInChI=1S/C10H12FNO/c1-8-3-2-4-9(5-8)7-12-10(13)6-11/h2-5H,6-7H2,1H3,(H,12,13)
InChIKeyCQYKTSJPOQRULL-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.58
Rot. Bonds3

About 2-fluoro-N-[(3-methylphenyl)methyl]acetamide

2-fluoro-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 130011767) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 2-fluoro-N-[(3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-fluoro-N-[(3-methylphenyl)methyl]acetamide
PubChem CID130011767
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name2-fluoro-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)CF)c1
InChIInChI=1S/C10H12FNO/c1-8-3-2-4-9(5-8)7-12-10(13)6-11/h2-5H,6-7H2,1H3,(H,12,13)
InChIKeyCQYKTSJPOQRULL-UHFFFAOYSA-N
XLogP1.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-[(3-methylphenyl)methyl]acetamide
CID 63679307
2-(methylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 60913954
3-chloro-N-[(3-methylphenyl)methyl]propanamide
CID 60913115
2-(2-fluorophenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 38240797
4-methyl-N-[(3-methylphenyl)methyl]pentanamide
CID 134063149
(3-methylphenyl)methylurea
CID 60776531
3-methoxy-N-[(3-methylphenyl)methyl]propanamide
CID 71248457
2-(3-bromophenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 100699556
3-(4-methylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 37430844
2-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]sulfanylacetic acid
CID 104569128
3-[[[2-(3-methylphenyl)acetyl]amino]methyl]benzoic acid
CID 62388861
2-(2,6-dimethylphenoxy)-N-[(3-methylphenyl)methyl]acetamide
CID 38294910

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(3-methylphenyl)methyl]acetamide?
The IUPAC name of 2-fluoro-N-[(3-methylphenyl)methyl]acetamide (CID 130011767) is 2-fluoro-N-[(3-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-fluoro-N-[(3-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-fluoro-N-[(3-methylphenyl)methyl]acetamide is Cc1cccc(CNC(=O)CF)c1.
What is the InChIKey of 2-fluoro-N-[(3-methylphenyl)methyl]acetamide?
The InChIKey is CQYKTSJPOQRULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c1-8-3-2-4-9(5-8)7-12-10(13)6-11/h2-5H,6-7H2,1H3,(H,12,13).
What are the key properties of 2-fluoro-N-[(3-methylphenyl)methyl]acetamide?
2-fluoro-N-[(3-methylphenyl)methyl]acetamide has a molecular weight of 181.21 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 130011767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).