4-(aminomethyl)-N-[3-(trifluoromethyl)phenyl]benzamide;dihydrochloride

C15H15Cl2F3N2O — CID 165436567

IUPAC4-(aminomethyl)-N-[3-(trifluoromethyl)phenyl]benzamide;dihydrochloride
SMILESCl.Cl.NCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H13F3N2O.2ClH/c16-15(17,18)12-2-1-3-13(8-12)20-14(21)11-6-4-10(9-19)5-7-11;;/h1-8H,9,19H2,(H,20,21);2*1H
InChIKeyRYSGMVACFVTFLC-UHFFFAOYSA-N
MW367.20 g/mol
LogP4.26
Rot. Bonds3

About 4-(aminomethyl)-N-[3-(trifluoromethyl)phenyl]benzamide;dihydrochloride

4-(aminomethyl)-N-[3-(trifluoromethyl)phenyl]benzamide;dihydrochloride (PubChem CID 165436567) has the molecular formula C15H15Cl2F3N2O and a molecular weight of 367.20 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[3-(trifluoromethyl)phenyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[3-(trifluoromethyl)phenyl]benzamide;dihydrochloride
PubChem CID165436567
Molecular FormulaC15H15Cl2F3N2O
Molecular Weight367.20 g/mol
Exact Mass366.05
IUPAC Name4-(aminomethyl)-N-[3-(trifluoromethyl)phenyl]benzamide;dihydrochloride
SMILESCl.Cl.NCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H13F3N2O.2ClH/c16-15(17,18)12-2-1-3-13(8-12)20-14(21)11-6-4-10(9-19)5-7-11;;/h1-8H,9,19H2,(H,20,21);2*1H
InChIKeyRYSGMVACFVTFLC-UHFFFAOYSA-N
XLogP4.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.20
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydrazinyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 62238140
4-bromo-N-[3-(trifluoromethyl)phenyl]benzamide
CID 788568
4-sulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 107020049
4-(aminomethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide;dihydrochloride
CID 165436568
1-N-benzyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109046746
4-(aminomethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide;hydrochloride
CID 171320799
4-[3-(4-aminophenyl)propanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54795283
4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 887218
3-[(4-bromobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54791205
3-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzene-1,3-dicarboxamide
CID 46577065
N-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide
CID 110691166
4-(phenylcarbamothioylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 28639160

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[3-(trifluoromethyl)phenyl]benzamide;dihydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[3-(trifluoromethyl)phenyl]benzamide;dihydrochloride (CID 165436567) is 4-(aminomethyl)-N-[3-(trifluoromethyl)phenyl]benzamide;dihydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[3-(trifluoromethyl)phenyl]benzamide;dihydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[3-(trifluoromethyl)phenyl]benzamide;dihydrochloride is Cl.Cl.NCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[3-(trifluoromethyl)phenyl]benzamide;dihydrochloride?
The InChIKey is RYSGMVACFVTFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O.2ClH/c16-15(17,18)12-2-1-3-13(8-12)20-14(21)11-6-4-10(9-19)5-7-11;;/h1-8H,9,19H2,(H,20,21);2*1H.
What are the key properties of 4-(aminomethyl)-N-[3-(trifluoromethyl)phenyl]benzamide;dihydrochloride?
4-(aminomethyl)-N-[3-(trifluoromethyl)phenyl]benzamide;dihydrochloride has a molecular weight of 367.20 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[3-(trifluoromethyl)phenyl]benzamide;dihydrochloride is sourced from PubChem (CID 165436567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).