2-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide

C10H9ClF3NO — CID 57455734

IUPAC2-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
SMILESO=C(CCl)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C10H9ClF3NO/c11-5-9(16)15-6-7-3-1-2-4-8(7)10(12,13)14/h1-4H,5-6H2,(H,15,16)
InChIKeyVLDNZEYYIZXNEL-UHFFFAOYSA-N
MW251.63 g/mol
LogP2.56
Rot. Bonds3

About 2-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide

2-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 57455734) has the molecular formula C10H9ClF3NO and a molecular weight of 251.63 g/mol. Its IUPAC name is 2-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID57455734
Molecular FormulaC10H9ClF3NO
Molecular Weight251.63 g/mol
Exact Mass251.03
IUPAC Name2-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
SMILESO=C(CCl)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C10H9ClF3NO/c11-5-9(16)15-6-7-3-1-2-4-8(7)10(12,13)14/h1-4H,5-6H2,(H,15,16)
InChIKeyVLDNZEYYIZXNEL-UHFFFAOYSA-N
XLogP2.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.63
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]acetamide
CID 62880642
2-chloro-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide
CID 162625143
2-(ethylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 55129029
2-[2-oxo-2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]sulfanylacetic acid
CID 115580456
4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide
CID 126520228
3-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 110480450
6-(methylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]hexanamide
CID 167116783
2-propan-2-yloxy-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 112686778
2-(2-methoxyethylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 79282836
4-(propan-2-ylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide
CID 62879951
2-(1H-indol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 20969118
2-amino-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 62879781

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide (CID 57455734) is 2-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide is O=C(CCl)NCc1ccccc1C(F)(F)F.
What is the InChIKey of 2-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is VLDNZEYYIZXNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3NO/c11-5-9(16)15-6-7-3-1-2-4-8(7)10(12,13)14/h1-4H,5-6H2,(H,15,16).
What are the key properties of 2-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
2-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 251.63 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 57455734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).