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

C11H10ClF3N2O2 — CID 62880642

IUPAC2-chloro-N-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]acetamide
SMILESO=C(CCl)NC(=O)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C11H10ClF3N2O2/c12-5-9(18)17-10(19)16-6-7-3-1-2-4-8(7)11(13,14)15/h1-4H,5-6H2,(H2,16,17,18,19)
InChIKeyQYQVSAIZDDKZMX-UHFFFAOYSA-N
MW294.66 g/mol
LogP2.27
Rot. Bonds3

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

2-chloro-N-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]acetamide (PubChem CID 62880642) has the molecular formula C11H10ClF3N2O2 and a molecular weight of 294.66 g/mol. Its IUPAC name is 2-chloro-N-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]acetamide
PubChem CID62880642
Molecular FormulaC11H10ClF3N2O2
Molecular Weight294.66 g/mol
Exact Mass294.04
IUPAC Name2-chloro-N-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]acetamide
SMILESO=C(CCl)NC(=O)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C11H10ClF3N2O2/c12-5-9(18)17-10(19)16-6-7-3-1-2-4-8(7)11(13,14)15/h1-4H,5-6H2,(H2,16,17,18,19)
InChIKeyQYQVSAIZDDKZMX-UHFFFAOYSA-N
XLogP2.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.66
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 57455734
N-[(2-bromophenyl)methylcarbamoyl]-2-chloroacetamide
CID 61414332
1-(2-chlorophenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea
CID 51046194
2-chloro-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide
CID 162625143
1-(3-aminopropyl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea;hydrochloride
CID 154905922
1-(2-hydroxypropyl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea
CID 117235456
1-amino-N-[[2-(trifluoromethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 81169624
6-(methylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]hexanamide
CID 167116783
1-[4-(trifluoromethoxy)phenyl]-3-[[2-(trifluoromethyl)phenyl]methyl]urea
CID 5000103
2-(ethylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 55129029
2-[2-oxo-2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]sulfanylacetic acid
CID 115580456
2-sulfanyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 107028778

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]acetamide?
The IUPAC name of 2-chloro-N-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]acetamide (CID 62880642) is 2-chloro-N-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]acetamide.
What is the SMILES notation for 2-chloro-N-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]acetamide?
The canonical SMILES for 2-chloro-N-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]acetamide is O=C(CCl)NC(=O)NCc1ccccc1C(F)(F)F.
What is the InChIKey of 2-chloro-N-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]acetamide?
The InChIKey is QYQVSAIZDDKZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N2O2/c12-5-9(18)17-10(19)16-6-7-3-1-2-4-8(7)11(13,14)15/h1-4H,5-6H2,(H2,16,17,18,19).
What are the key properties of 2-chloro-N-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]acetamide?
2-chloro-N-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]acetamide has a molecular weight of 294.66 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]acetamide is sourced from PubChem (CID 62880642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).