3-amino-N-(1-cyclopropylpropan-2-yl)-4-(trifluoromethoxy)benzamide

C14H17F3N2O2 — CID 116628865

IUPAC3-amino-N-(1-cyclopropylpropan-2-yl)-4-(trifluoromethoxy)benzamide
SMILESCC(CC1CC1)NC(=O)c1ccc(OC(F)(F)F)c(N)c1
InChIInChI=1S/C14H17F3N2O2/c1-8(6-9-2-3-9)19-13(20)10-4-5-12(11(18)7-10)21-14(15,16)17/h4-5,7-9H,2-3,6,18H2,1H3,(H,19,20)
InChIKeySVBSZVHCAZGCQK-UHFFFAOYSA-N
MW302.30 g/mol
LogP3.09
Rot. Bonds5

About 3-amino-N-(1-cyclopropylpropan-2-yl)-4-(trifluoromethoxy)benzamide

3-amino-N-(1-cyclopropylpropan-2-yl)-4-(trifluoromethoxy)benzamide (PubChem CID 116628865) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 3-amino-N-(1-cyclopropylpropan-2-yl)-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Name3-amino-N-(1-cyclopropylpropan-2-yl)-4-(trifluoromethoxy)benzamide
PubChem CID116628865
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name3-amino-N-(1-cyclopropylpropan-2-yl)-4-(trifluoromethoxy)benzamide
SMILESCC(CC1CC1)NC(=O)c1ccc(OC(F)(F)F)c(N)c1
InChIInChI=1S/C14H17F3N2O2/c1-8(6-9-2-3-9)19-13(20)10-4-5-12(11(18)7-10)21-14(15,16)17/h4-5,7-9H,2-3,6,18H2,1H3,(H,19,20)
InChIKeySVBSZVHCAZGCQK-UHFFFAOYSA-N
XLogP3.09
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(1-cyclopropylethyl)-4-(trifluoromethoxy)benzamide
CID 116628580
3-amino-N-(cyclobutylmethyl)-4-(trifluoromethoxy)benzamide
CID 116628568
3-amino-N-methyl-4-(trifluoromethoxy)benzamide
CID 116628466
3-amino-N-(1-methoxybutan-2-yl)-4-(trifluoromethoxy)benzamide
CID 116628870
3-amino-N-(1-methylcyclopentyl)-4-(trifluoromethoxy)benzamide
CID 116628775
3-amino-N-(2-methylsulfanylpropyl)-4-(trifluoromethoxy)benzamide
CID 116628993
3-amino-N-(thian-4-yl)-4-(trifluoromethoxy)benzamide
CID 116629037
1-[3-amino-4-(trifluoromethoxy)phenyl]ethanone
CID 170997628
3-amino-N-[(2S)-butan-2-yl]-4-methoxybenzamide
CID 28690052
3-amino-N-(cyclopropylmethyl)-4-methoxybenzamide
CID 16788362
N-(1-cyclopropylpropan-2-yl)-3-hydrazinyl-4-nitrobenzamide
CID 63996005
3-amino-N-methyl-N-propan-2-yl-4-(trifluoromethoxy)benzamide
CID 116628479

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-cyclopropylpropan-2-yl)-4-(trifluoromethoxy)benzamide?
The IUPAC name of 3-amino-N-(1-cyclopropylpropan-2-yl)-4-(trifluoromethoxy)benzamide (CID 116628865) is 3-amino-N-(1-cyclopropylpropan-2-yl)-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for 3-amino-N-(1-cyclopropylpropan-2-yl)-4-(trifluoromethoxy)benzamide?
The canonical SMILES for 3-amino-N-(1-cyclopropylpropan-2-yl)-4-(trifluoromethoxy)benzamide is CC(CC1CC1)NC(=O)c1ccc(OC(F)(F)F)c(N)c1.
What is the InChIKey of 3-amino-N-(1-cyclopropylpropan-2-yl)-4-(trifluoromethoxy)benzamide?
The InChIKey is SVBSZVHCAZGCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-8(6-9-2-3-9)19-13(20)10-4-5-12(11(18)7-10)21-14(15,16)17/h4-5,7-9H,2-3,6,18H2,1H3,(H,19,20).
What are the key properties of 3-amino-N-(1-cyclopropylpropan-2-yl)-4-(trifluoromethoxy)benzamide?
3-amino-N-(1-cyclopropylpropan-2-yl)-4-(trifluoromethoxy)benzamide has a molecular weight of 302.30 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-cyclopropylpropan-2-yl)-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 116628865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).