N-(3-methylbutyl)-2-[4-(trifluoromethyl)anilino]acetamide

C14H19F3N2O — CID 60672877

IUPACN-(3-methylbutyl)-2-[4-(trifluoromethyl)anilino]acetamide
SMILESCC(C)CCNC(=O)CNc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O/c1-10(2)7-8-18-13(20)9-19-12-5-3-11(4-6-12)14(15,16)17/h3-6,10,19H,7-9H2,1-2H3,(H,18,20)
InChIKeyCMXWHFDQXFALDO-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.28
Rot. Bonds6

About N-(3-methylbutyl)-2-[4-(trifluoromethyl)anilino]acetamide

N-(3-methylbutyl)-2-[4-(trifluoromethyl)anilino]acetamide (PubChem CID 60672877) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-[4-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-[4-(trifluoromethyl)anilino]acetamide
PubChem CID60672877
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC NameN-(3-methylbutyl)-2-[4-(trifluoromethyl)anilino]acetamide
SMILESCC(C)CCNC(=O)CNc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O/c1-10(2)7-8-18-13(20)9-19-12-5-3-11(4-6-12)14(15,16)17/h3-6,10,19H,7-9H2,1-2H3,(H,18,20)
InChIKeyCMXWHFDQXFALDO-UHFFFAOYSA-N
XLogP3.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-cyanoanilino)-N-(3-methylbutyl)acetamide
CID 47117865
N-(4-methylpentyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 56546511
2-(4-ethoxyanilino)-N-(3-methylbutyl)acetamide
CID 39364243
2-(3,4-dichloroanilino)-N-(3-methylbutyl)acetamide
CID 60671349
2-(4-tert-butylanilino)-N-(2-methylpropyl)acetamide
CID 28571980
N-(3-methylbutyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 60674409
N-(3-methylbutyl)-2-[3-(trifluoromethoxy)anilino]acetamide
CID 61062823
4-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pentanamide
CID 78768780
2-(4-bromo-3-methylanilino)-N-(3-methylbutyl)acetamide
CID 60671753
N-carbamoyl-2-[4-(trifluoromethyl)anilino]acetamide
CID 26507967
5-(3-methylbutylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109195665
N-(dicyclopropylmethyl)-2-[4-(trifluoromethyl)anilino]acetamide
CID 29454713

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-[4-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-(3-methylbutyl)-2-[4-(trifluoromethyl)anilino]acetamide (CID 60672877) is N-(3-methylbutyl)-2-[4-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-[4-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-(3-methylbutyl)-2-[4-(trifluoromethyl)anilino]acetamide is CC(C)CCNC(=O)CNc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(3-methylbutyl)-2-[4-(trifluoromethyl)anilino]acetamide?
The InChIKey is CMXWHFDQXFALDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-10(2)7-8-18-13(20)9-19-12-5-3-11(4-6-12)14(15,16)17/h3-6,10,19H,7-9H2,1-2H3,(H,18,20).
What are the key properties of N-(3-methylbutyl)-2-[4-(trifluoromethyl)anilino]acetamide?
N-(3-methylbutyl)-2-[4-(trifluoromethyl)anilino]acetamide has a molecular weight of 288.31 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-[4-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 60672877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).