N-[4-methoxy-3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]acetamide

C12H14F3N3O3 — CID 72854483

IUPACN-[4-methoxy-3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)NCC(F)(F)F
InChIInChI=1S/C12H14F3N3O3/c1-7(19)17-8-3-4-10(21-2)9(5-8)18-11(20)16-6-12(13,14)15/h3-5H,6H2,1-2H3,(H,17,19)(H2,16,18,20)
InChIKeyCKAXNDLBDWSJPQ-UHFFFAOYSA-N
MW305.26 g/mol
LogP2.34
Rot. Bonds4

About N-[4-methoxy-3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]acetamide

N-[4-methoxy-3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]acetamide (PubChem CID 72854483) has the molecular formula C12H14F3N3O3 and a molecular weight of 305.26 g/mol. Its IUPAC name is N-[4-methoxy-3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]acetamide
PubChem CID72854483
Molecular FormulaC12H14F3N3O3
Molecular Weight305.26 g/mol
Exact Mass305.10
IUPAC NameN-[4-methoxy-3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)NCC(F)(F)F
InChIInChI=1S/C12H14F3N3O3/c1-7(19)17-8-3-4-10(21-2)9(5-8)18-11(20)16-6-12(13,14)15/h3-5H,6H2,1-2H3,(H,17,19)(H2,16,18,20)
InChIKeyCKAXNDLBDWSJPQ-UHFFFAOYSA-N
XLogP2.34
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-4-(2,2,2-trifluoroethylcarbamoylamino)benzoic acid
CID 107208858
N-[4-methoxy-3-(2-phenylpropylcarbamoylamino)phenyl]acetamide
CID 47033004
N-[3-(cyclopropylcarbamoylamino)-4-methoxyphenyl]acetamide
CID 47127639
1-(2,4-dibromo-5-methoxyphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 103412409
N-(5-acetamido-2-methoxyphenyl)-3-amino-2-methylpropanamide
CID 62671021
N-[3-[[(2S,3S)-4-hydroxy-3-methylbutan-2-yl]carbamoylamino]-4-methoxyphenyl]acetamide
CID 95775570
N-(5-acetamido-2-methoxyphenyl)-2-aminopropanamide;hydrochloride
CID 119266368
N-[3-(2,2-difluoroethylamino)-4-methoxyphenyl]acetamide
CID 154366600
N-(5-acetamido-2-methoxyphenyl)-3-chloropropanamide
CID 43236542
N-(5-acetamido-2-methoxyphenyl)-4-(trifluoromethylsulfanyl)benzamide
CID 26705416
N-(5-acetamido-2-methoxyphenyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
CID 24614942
N-(5-acetamido-2-methoxyphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 8510112

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]acetamide?
The IUPAC name of N-[4-methoxy-3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]acetamide (CID 72854483) is N-[4-methoxy-3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]acetamide.
What is the SMILES notation for N-[4-methoxy-3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]acetamide?
The canonical SMILES for N-[4-methoxy-3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]acetamide is COc1ccc(NC(C)=O)cc1NC(=O)NCC(F)(F)F.
What is the InChIKey of N-[4-methoxy-3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]acetamide?
The InChIKey is CKAXNDLBDWSJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O3/c1-7(19)17-8-3-4-10(21-2)9(5-8)18-11(20)16-6-12(13,14)15/h3-5H,6H2,1-2H3,(H,17,19)(H2,16,18,20).
What are the key properties of N-[4-methoxy-3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]acetamide?
N-[4-methoxy-3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]acetamide has a molecular weight of 305.26 g/mol, XLogP of 2.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]acetamide is sourced from PubChem (CID 72854483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).