3-amino-4-propoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide

C18H19F3N2O2 — CID 110496645

IUPAC3-amino-4-propoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCCCOc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1N
InChIInChI=1S/C18H19F3N2O2/c1-2-8-25-16-7-6-13(10-15(16)22)17(24)23-11-12-4-3-5-14(9-12)18(19,20)21/h3-7,9-10H,2,8,11,22H2,1H3,(H,23,24)
InChIKeyIOOVOEZFLWIAHH-UHFFFAOYSA-N
MW352.36 g/mol
LogP4.01
Rot. Bonds6

About 3-amino-4-propoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide

3-amino-4-propoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 110496645) has the molecular formula C18H19F3N2O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is 3-amino-4-propoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-amino-4-propoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID110496645
Molecular FormulaC18H19F3N2O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC Name3-amino-4-propoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCCCOc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1N
InChIInChI=1S/C18H19F3N2O2/c1-2-8-25-16-7-6-13(10-15(16)22)17(24)23-11-12-4-3-5-14(9-12)18(19,20)21/h3-7,9-10H,2,8,11,22H2,1H3,(H,23,24)
InChIKeyIOOVOEZFLWIAHH-UHFFFAOYSA-N
XLogP4.01
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 54.01
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-(2-hydroxyethoxy)-4-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 55734454
3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 4076220
6-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 27009221
2-amino-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 16769465
3-amino-N-(2-methylpropyl)-4-propoxybenzamide
CID 82070281
4-sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 107020234
4-(dimethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 27515025
N-benzyl-3-ethoxy-4-propoxybenzamide
CID 4264811
3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxybenzamide
CID 107210223
N-butan-2-yl-3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]benzamide
CID 55749265
3-amino-N-(3-butoxypropyl)-4-propoxybenzamide
CID 110496597
N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide
CID 59192094

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-propoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 3-amino-4-propoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (CID 110496645) is 3-amino-4-propoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-amino-4-propoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 3-amino-4-propoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is CCCOc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1N.
What is the InChIKey of 3-amino-4-propoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is IOOVOEZFLWIAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O2/c1-2-8-25-16-7-6-13(10-15(16)22)17(24)23-11-12-4-3-5-14(9-12)18(19,20)21/h3-7,9-10H,2,8,11,22H2,1H3,(H,23,24).
What are the key properties of 3-amino-4-propoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
3-amino-4-propoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 352.36 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-propoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 110496645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).