2-chloro-N-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoyl]acetamide

C10H7Cl2F3N2O2 — CID 63669317

IUPAC2-chloro-N-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoyl]acetamide
SMILESO=C(CCl)NC(=O)Nc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H7Cl2F3N2O2/c11-4-8(18)17-9(19)16-7-2-1-5(3-6(7)12)10(13,14)15/h1-3H,4H2,(H2,16,17,18,19)
InChIKeyUXPUFXBKXIVJIS-UHFFFAOYSA-N
MW315.08 g/mol
LogP3.25
Rot. Bonds2

About 2-chloro-N-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoyl]acetamide

2-chloro-N-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoyl]acetamide (PubChem CID 63669317) has the molecular formula C10H7Cl2F3N2O2 and a molecular weight of 315.08 g/mol. Its IUPAC name is 2-chloro-N-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoyl]acetamide
PubChem CID63669317
Molecular FormulaC10H7Cl2F3N2O2
Molecular Weight315.08 g/mol
Exact Mass313.98
IUPAC Name2-chloro-N-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoyl]acetamide
SMILESO=C(CCl)NC(=O)Nc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H7Cl2F3N2O2/c11-4-8(18)17-9(19)16-7-2-1-5(3-6(7)12)10(13,14)15/h1-3H,4H2,(H2,16,17,18,19)
InChIKeyUXPUFXBKXIVJIS-UHFFFAOYSA-N
XLogP3.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.08
LogP ≤ 53.25
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

4-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]butanamide
CID 60723512
N-[2-chloro-4-(trifluoromethyl)phenyl]-2-iodoacetamide
CID 166140537
2-amino-N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide
CID 43707397
2-chloro-N-[(2,4,5-trichlorophenyl)carbamoyl]acetamide
CID 43146050
N-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylacetamide
CID 17102273
1-[2-chloro-4-(trifluoromethyl)phenyl]-3-[3-(2-hydroxyethoxy)propyl]urea
CID 110021320
1-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoylamino]cyclopropane-1-carboxylic acid
CID 65464806
2-chloro-N-[(2,5-dichlorophenyl)carbamoyl]acetamide
CID 43145991
2-amino-N-[2-chloro-4-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 43707417
1-[2-chloro-4-(trifluoromethyl)phenyl]-3-[2-(triazol-1-yl)ethyl]urea
CID 75502071
1-[2-chloro-4-(trifluoromethyl)phenyl]-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea
CID 111976400
N-[2-chloro-4-(trifluoromethyl)phenyl]-4-ethylbenzamide
CID 17102278

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoyl]acetamide?
The IUPAC name of 2-chloro-N-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoyl]acetamide (CID 63669317) is 2-chloro-N-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoyl]acetamide.
What is the SMILES notation for 2-chloro-N-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoyl]acetamide?
The canonical SMILES for 2-chloro-N-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoyl]acetamide is O=C(CCl)NC(=O)Nc1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-chloro-N-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoyl]acetamide?
The InChIKey is UXPUFXBKXIVJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2F3N2O2/c11-4-8(18)17-9(19)16-7-2-1-5(3-6(7)12)10(13,14)15/h1-3H,4H2,(H2,16,17,18,19).
What are the key properties of 2-chloro-N-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoyl]acetamide?
2-chloro-N-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoyl]acetamide has a molecular weight of 315.08 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoyl]acetamide is sourced from PubChem (CID 63669317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).