N-[4-[[2-(4-chlorophenoxy)acetyl]amino]phenyl]-2,2,2-trifluoroacetamide

C16H12ClF3N2O3 — CID 112505285

IUPACN-[4-[[2-(4-chlorophenoxy)acetyl]amino]phenyl]-2,2,2-trifluoroacetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1ccc(NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C16H12ClF3N2O3/c17-10-1-7-13(8-2-10)25-9-14(23)21-11-3-5-12(6-4-11)22-15(24)16(18,19)20/h1-8H,9H2,(H,21,23)(H,22,24)
InChIKeySPZABVQGIRCTPF-UHFFFAOYSA-N
MW372.73 g/mol
LogP3.86
Rot. Bonds5

About N-[4-[[2-(4-chlorophenoxy)acetyl]amino]phenyl]-2,2,2-trifluoroacetamide

N-[4-[[2-(4-chlorophenoxy)acetyl]amino]phenyl]-2,2,2-trifluoroacetamide (PubChem CID 112505285) has the molecular formula C16H12ClF3N2O3 and a molecular weight of 372.73 g/mol. Its IUPAC name is N-[4-[[2-(4-chlorophenoxy)acetyl]amino]phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[4-[[2-(4-chlorophenoxy)acetyl]amino]phenyl]-2,2,2-trifluoroacetamide
PubChem CID112505285
Molecular FormulaC16H12ClF3N2O3
Molecular Weight372.73 g/mol
Exact Mass372.05
IUPAC NameN-[4-[[2-(4-chlorophenoxy)acetyl]amino]phenyl]-2,2,2-trifluoroacetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1ccc(NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C16H12ClF3N2O3/c17-10-1-7-13(8-2-10)25-9-14(23)21-11-3-5-12(6-4-11)22-15(24)16(18,19)20/h1-8H,9H2,(H,21,23)(H,22,24)
InChIKeySPZABVQGIRCTPF-UHFFFAOYSA-N
XLogP3.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.73
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(Z)-N-[[2-(4-chlorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]-2,2,2-trifluoroacetamide
CID 6271601
2-(4-chlorophenoxy)-N-[4-(2-methoxyethylamino)phenyl]acetamide
CID 112980930
2-(4-chlorophenoxy)-N-pyridin-4-ylacetamide;hydrochloride
CID 163329233
2-(4-chlorophenoxy)-N-[4-[2-(dimethylamino)ethylamino]phenyl]acetamide
CID 112981318
2-(4-chlorophenoxy)-N-[4-(difluoromethylsulfonyl)phenyl]acetamide
CID 8503445
2-(4-chlorophenoxy)-N-[4-(cyclopentylamino)phenyl]acetamide
CID 112980612
2-(4-methoxyphenoxy)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2711310
2-(4-chlorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 822273
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-chlorobenzoate
CID 2444631
2,2,2-trifluoro-N-[[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]methyl]acetamide
CID 108933812
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 2521223
3-(4-chlorophenyl)-3-methyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide
CID 110303514

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(4-chlorophenoxy)acetyl]amino]phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[4-[[2-(4-chlorophenoxy)acetyl]amino]phenyl]-2,2,2-trifluoroacetamide (CID 112505285) is N-[4-[[2-(4-chlorophenoxy)acetyl]amino]phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[4-[[2-(4-chlorophenoxy)acetyl]amino]phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[4-[[2-(4-chlorophenoxy)acetyl]amino]phenyl]-2,2,2-trifluoroacetamide is O=C(COc1ccc(Cl)cc1)Nc1ccc(NC(=O)C(F)(F)F)cc1.
What is the InChIKey of N-[4-[[2-(4-chlorophenoxy)acetyl]amino]phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is SPZABVQGIRCTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3N2O3/c17-10-1-7-13(8-2-10)25-9-14(23)21-11-3-5-12(6-4-11)22-15(24)16(18,19)20/h1-8H,9H2,(H,21,23)(H,22,24).
What are the key properties of N-[4-[[2-(4-chlorophenoxy)acetyl]amino]phenyl]-2,2,2-trifluoroacetamide?
N-[4-[[2-(4-chlorophenoxy)acetyl]amino]phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 372.73 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(4-chlorophenoxy)acetyl]amino]phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 112505285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).