2-chloro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]acetamide

C10H7ClF4N2O2 — CID 61227663

IUPAC2-chloro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]acetamide
SMILESO=C(CCl)NC(=O)Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C10H7ClF4N2O2/c11-4-8(18)17-9(19)16-5-1-2-7(12)6(3-5)10(13,14)15/h1-3H,4H2,(H2,16,17,18,19)
InChIKeyBJFOKKSIPRKZRR-UHFFFAOYSA-N
MW298.62 g/mol
LogP2.73
Rot. Bonds2

About 2-chloro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]acetamide

2-chloro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]acetamide (PubChem CID 61227663) has the molecular formula C10H7ClF4N2O2 and a molecular weight of 298.62 g/mol. Its IUPAC name is 2-chloro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]acetamide
PubChem CID61227663
Molecular FormulaC10H7ClF4N2O2
Molecular Weight298.62 g/mol
Exact Mass298.01
IUPAC Name2-chloro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]acetamide
SMILESO=C(CCl)NC(=O)Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C10H7ClF4N2O2/c11-4-8(18)17-9(19)16-5-1-2-7(12)6(3-5)10(13,14)15/h1-3H,4H2,(H2,16,17,18,19)
InChIKeyBJFOKKSIPRKZRR-UHFFFAOYSA-N
XLogP2.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.62
LogP ≤ 52.73
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

1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylurea
CID 47456942
2-chloro-N-[3-(1,1-difluoroethyl)-4-fluorophenyl]acetamide
CID 166428368
2,6-difluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]benzamide
CID 23276641
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(3-hydroxypropyl)urea
CID 60597825
benzene;[4-fluoro-3-(trifluoromethyl)phenyl]carbamic acid
CID 174945939
3-(tert-butylamino)-N-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide
CID 61229798
N-(2,5-dichlorophenyl)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]acetamide
CID 60598073
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 52774182
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane
CID 142867328
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-isocyanatoacetamide
CID 139989673
N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 47081962
3-[4-fluoro-3-(trifluoromethyl)anilino]propanoic acid
CID 61228436

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]acetamide?
The IUPAC name of 2-chloro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]acetamide (CID 61227663) is 2-chloro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]acetamide.
What is the SMILES notation for 2-chloro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]acetamide?
The canonical SMILES for 2-chloro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]acetamide is O=C(CCl)NC(=O)Nc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 2-chloro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]acetamide?
The InChIKey is BJFOKKSIPRKZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF4N2O2/c11-4-8(18)17-9(19)16-5-1-2-7(12)6(3-5)10(13,14)15/h1-3H,4H2,(H2,16,17,18,19).
What are the key properties of 2-chloro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]acetamide?
2-chloro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]acetamide has a molecular weight of 298.62 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]acetamide is sourced from PubChem (CID 61227663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).