3-amino-N,N-dipropyl-4-(trifluoromethoxy)benzamide

C14H19F3N2O2 — CID 116628476

IUPAC3-amino-N,N-dipropyl-4-(trifluoromethoxy)benzamide
SMILESCCCN(CCC)C(=O)c1ccc(OC(F)(F)F)c(N)c1
InChIInChI=1S/C14H19F3N2O2/c1-3-7-19(8-4-2)13(20)10-5-6-12(11(18)9-10)21-14(15,16)17/h5-6,9H,3-4,7-8,18H2,1-2H3
InChIKeyNPVNAOUFZQCPPT-UHFFFAOYSA-N
MW304.31 g/mol
LogP3.43
Rot. Bonds6

About 3-amino-N,N-dipropyl-4-(trifluoromethoxy)benzamide

3-amino-N,N-dipropyl-4-(trifluoromethoxy)benzamide (PubChem CID 116628476) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 3-amino-N,N-dipropyl-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Name3-amino-N,N-dipropyl-4-(trifluoromethoxy)benzamide
PubChem CID116628476
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name3-amino-N,N-dipropyl-4-(trifluoromethoxy)benzamide
SMILESCCCN(CCC)C(=O)c1ccc(OC(F)(F)F)c(N)c1
InChIInChI=1S/C14H19F3N2O2/c1-3-7-19(8-4-2)13(20)10-5-6-12(11(18)9-10)21-14(15,16)17/h5-6,9H,3-4,7-8,18H2,1-2H3
InChIKeyNPVNAOUFZQCPPT-UHFFFAOYSA-N
XLogP3.43
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2-amino-2-oxoethyl)-N-ethyl-4-(trifluoromethoxy)benzamide
CID 103100896
3-amino-N-(2-hydroxyethyl)-N-methyl-4-(trifluoromethoxy)benzamide
CID 116628550
3-amino-N-methyl-N-propan-2-yl-4-(trifluoromethoxy)benzamide
CID 116628479
3-amino-4-ethoxy-N-ethyl-N-propylbenzamide
CID 61094577
1-[3-amino-4-(trifluoromethoxy)phenyl]ethanone
CID 170997628
4-amino-3-hydroxy-N,N-dipropylbenzamide
CID 22411148
3-amino-N-methyl-N-(3-methylbutan-2-yl)-4-(trifluoromethoxy)benzamide
CID 116628590
4-amino-3-methoxy-N,N-dipropylbenzamide
CID 104782274
3-amino-N-methyl-4-(trifluoromethoxy)benzamide
CID 116628466
3-fluoro-4-methoxy-N,N-dipropylbenzamide
CID 86906434
3-amino-N,N-diethyl-4-methoxybenzamide
CID 16770695
3-amino-N-(2-methylsulfanylpropyl)-4-(trifluoromethoxy)benzamide
CID 116628993

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dipropyl-4-(trifluoromethoxy)benzamide?
The IUPAC name of 3-amino-N,N-dipropyl-4-(trifluoromethoxy)benzamide (CID 116628476) is 3-amino-N,N-dipropyl-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for 3-amino-N,N-dipropyl-4-(trifluoromethoxy)benzamide?
The canonical SMILES for 3-amino-N,N-dipropyl-4-(trifluoromethoxy)benzamide is CCCN(CCC)C(=O)c1ccc(OC(F)(F)F)c(N)c1.
What is the InChIKey of 3-amino-N,N-dipropyl-4-(trifluoromethoxy)benzamide?
The InChIKey is NPVNAOUFZQCPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-3-7-19(8-4-2)13(20)10-5-6-12(11(18)9-10)21-14(15,16)17/h5-6,9H,3-4,7-8,18H2,1-2H3.
What are the key properties of 3-amino-N,N-dipropyl-4-(trifluoromethoxy)benzamide?
3-amino-N,N-dipropyl-4-(trifluoromethoxy)benzamide has a molecular weight of 304.31 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dipropyl-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 116628476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).