N-(3-methylbutyl)-2-[3-(trifluoromethoxy)anilino]acetamide

C14H19F3N2O2 — CID 61062823

IUPACN-(3-methylbutyl)-2-[3-(trifluoromethoxy)anilino]acetamide
SMILESCC(C)CCNC(=O)CNc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O2/c1-10(2)6-7-18-13(20)9-19-11-4-3-5-12(8-11)21-14(15,16)17/h3-5,8,10,19H,6-7,9H2,1-2H3,(H,18,20)
InChIKeySKAKCKWJOLDZKT-UHFFFAOYSA-N
MW304.31 g/mol
LogP3.16
Rot. Bonds7

About N-(3-methylbutyl)-2-[3-(trifluoromethoxy)anilino]acetamide

N-(3-methylbutyl)-2-[3-(trifluoromethoxy)anilino]acetamide (PubChem CID 61062823) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-[3-(trifluoromethoxy)anilino]acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-[3-(trifluoromethoxy)anilino]acetamide
PubChem CID61062823
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC NameN-(3-methylbutyl)-2-[3-(trifluoromethoxy)anilino]acetamide
SMILESCC(C)CCNC(=O)CNc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O2/c1-10(2)6-7-18-13(20)9-19-11-4-3-5-12(8-11)21-14(15,16)17/h3-5,8,10,19H,6-7,9H2,1-2H3,(H,18,20)
InChIKeySKAKCKWJOLDZKT-UHFFFAOYSA-N
XLogP3.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[3-(trifluoromethoxy)anilino]acetamide
CID 28586058
N-propan-2-yl-2-[3-(trifluoromethoxy)anilino]acetamide
CID 28586045
1-(3-methylbutyl)-3-[3-(trifluoromethoxy)phenyl]urea
CID 47201851
N-methyl-2-[3-(trifluoromethoxy)anilino]acetamide
CID 28586079
2-(3-ethylanilino)-N-(3-methylbutyl)acetamide
CID 60672205
N-(2-methylphenyl)-2-[3-(trifluoromethoxy)anilino]acetamide
CID 31773766
N-(4-methylpentyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 56546511
N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(trifluoromethoxy)anilino]acetamide
CID 55544425
N-(2,3-dimethylphenyl)-2-[3-(trifluoromethoxy)anilino]acetamide
CID 31773740
N-(2-iodophenyl)-2-[3-(trifluoromethoxy)anilino]acetamide
CID 31774679
2-(3-methoxyanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60646925
[3-(3-methylbutylamino)phenyl] 3-methylbut-2-enoate
CID 82531870

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-[3-(trifluoromethoxy)anilino]acetamide?
The IUPAC name of N-(3-methylbutyl)-2-[3-(trifluoromethoxy)anilino]acetamide (CID 61062823) is N-(3-methylbutyl)-2-[3-(trifluoromethoxy)anilino]acetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-[3-(trifluoromethoxy)anilino]acetamide?
The canonical SMILES for N-(3-methylbutyl)-2-[3-(trifluoromethoxy)anilino]acetamide is CC(C)CCNC(=O)CNc1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-(3-methylbutyl)-2-[3-(trifluoromethoxy)anilino]acetamide?
The InChIKey is SKAKCKWJOLDZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-10(2)6-7-18-13(20)9-19-11-4-3-5-12(8-11)21-14(15,16)17/h3-5,8,10,19H,6-7,9H2,1-2H3,(H,18,20).
What are the key properties of N-(3-methylbutyl)-2-[3-(trifluoromethoxy)anilino]acetamide?
N-(3-methylbutyl)-2-[3-(trifluoromethoxy)anilino]acetamide has a molecular weight of 304.31 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-[3-(trifluoromethoxy)anilino]acetamide is sourced from PubChem (CID 61062823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).