3-acetamido-N-(3-aminopropyl)-N-benzyl-5-(trifluoromethyl)benzamide;hydrochloride

C20H23ClF3N3O2 — CID 120648852

IUPAC3-acetamido-N-(3-aminopropyl)-N-benzyl-5-(trifluoromethyl)benzamide;hydrochloride
SMILESCC(=O)Nc1cc(C(=O)N(CCCN)Cc2ccccc2)cc(C(F)(F)F)c1.Cl
InChIInChI=1S/C20H22F3N3O2.ClH/c1-14(27)25-18-11-16(10-17(12-18)20(21,22)23)19(28)26(9-5-8-24)13-15-6-3-2-4-7-15;/h2-4,6-7,10-12H,5,8-9,13,24H2,1H3,(H,25,27);1H
InChIKeyYMZVWGKYRMQNKP-UHFFFAOYSA-N
MW429.87 g/mol
LogP4.08
Rot. Bonds7

About 3-acetamido-N-(3-aminopropyl)-N-benzyl-5-(trifluoromethyl)benzamide;hydrochloride

3-acetamido-N-(3-aminopropyl)-N-benzyl-5-(trifluoromethyl)benzamide;hydrochloride (PubChem CID 120648852) has the molecular formula C20H23ClF3N3O2 and a molecular weight of 429.87 g/mol. Its IUPAC name is 3-acetamido-N-(3-aminopropyl)-N-benzyl-5-(trifluoromethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-acetamido-N-(3-aminopropyl)-N-benzyl-5-(trifluoromethyl)benzamide;hydrochloride
PubChem CID120648852
Molecular FormulaC20H23ClF3N3O2
Molecular Weight429.87 g/mol
Exact Mass429.14
IUPAC Name3-acetamido-N-(3-aminopropyl)-N-benzyl-5-(trifluoromethyl)benzamide;hydrochloride
SMILESCC(=O)Nc1cc(C(=O)N(CCCN)Cc2ccccc2)cc(C(F)(F)F)c1.Cl
InChIInChI=1S/C20H22F3N3O2.ClH/c1-14(27)25-18-11-16(10-17(12-18)20(21,22)23)19(28)26(9-5-8-24)13-15-6-3-2-4-7-15;/h2-4,6-7,10-12H,5,8-9,13,24H2,1H3,(H,25,27);1H
InChIKeyYMZVWGKYRMQNKP-UHFFFAOYSA-N
XLogP4.08
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.87
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(3-aminopropyl)-N-benzyl-5-(trifluoromethyl)benzamide;hydrochloride?
The IUPAC name of 3-acetamido-N-(3-aminopropyl)-N-benzyl-5-(trifluoromethyl)benzamide;hydrochloride (CID 120648852) is 3-acetamido-N-(3-aminopropyl)-N-benzyl-5-(trifluoromethyl)benzamide;hydrochloride.
What is the SMILES notation for 3-acetamido-N-(3-aminopropyl)-N-benzyl-5-(trifluoromethyl)benzamide;hydrochloride?
The canonical SMILES for 3-acetamido-N-(3-aminopropyl)-N-benzyl-5-(trifluoromethyl)benzamide;hydrochloride is CC(=O)Nc1cc(C(=O)N(CCCN)Cc2ccccc2)cc(C(F)(F)F)c1.Cl.
What is the InChIKey of 3-acetamido-N-(3-aminopropyl)-N-benzyl-5-(trifluoromethyl)benzamide;hydrochloride?
The InChIKey is YMZVWGKYRMQNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O2.ClH/c1-14(27)25-18-11-16(10-17(12-18)20(21,22)23)19(28)26(9-5-8-24)13-15-6-3-2-4-7-15;/h2-4,6-7,10-12H,5,8-9,13,24H2,1H3,(H,25,27);1H.
What are the key properties of 3-acetamido-N-(3-aminopropyl)-N-benzyl-5-(trifluoromethyl)benzamide;hydrochloride?
3-acetamido-N-(3-aminopropyl)-N-benzyl-5-(trifluoromethyl)benzamide;hydrochloride has a molecular weight of 429.87 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(3-aminopropyl)-N-benzyl-5-(trifluoromethyl)benzamide;hydrochloride is sourced from PubChem (CID 120648852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).