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

C15H15Cl2F3N2O2 — CID 165436568

IUPAC4-(aminomethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide;dihydrochloride
SMILESCl.Cl.NCc1ccc(C(=O)Nc2cccc(OC(F)(F)F)c2)cc1
InChIInChI=1S/C15H13F3N2O2.2ClH/c16-15(17,18)22-13-3-1-2-12(8-13)20-14(21)11-6-4-10(9-19)5-7-11;;/h1-8H,9,19H2,(H,20,21);2*1H
InChIKeyHNAAMRQGIRMJIL-UHFFFAOYSA-N
MW383.20 g/mol
LogP4.14
Rot. Bonds4

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

4-(aminomethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide;dihydrochloride (PubChem CID 165436568) has the molecular formula C15H15Cl2F3N2O2 and a molecular weight of 383.20 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide;dihydrochloride
PubChem CID165436568
Molecular FormulaC15H15Cl2F3N2O2
Molecular Weight383.20 g/mol
Exact Mass382.05
IUPAC Name4-(aminomethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide;dihydrochloride
SMILESCl.Cl.NCc1ccc(C(=O)Nc2cccc(OC(F)(F)F)c2)cc1
InChIInChI=1S/C15H13F3N2O2.2ClH/c16-15(17,18)22-13-3-1-2-12(8-13)20-14(21)11-6-4-10(9-19)5-7-11;;/h1-8H,9,19H2,(H,20,21);2*1H
InChIKeyHNAAMRQGIRMJIL-UHFFFAOYSA-N
XLogP4.14
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.20
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide;hydrochloride
CID 171320799
4-(aminomethyl)-N-(3-methoxyphenyl)benzamide
CID 16796099
4-(aminomethyl)-N-[3-(trifluoromethyl)phenyl]benzamide;dihydrochloride
CID 165436567
4-(pyrazol-1-ylmethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38209826
3-[[4-(trifluoromethoxy)benzoyl]amino]benzoic acid;hydrochloride
CID 67278377
4-(1,3-dithian-2-yl)-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38206907
4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38209872
N-[3-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]phenyl]benzamide
CID 55797164
6-bromo-N-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 66463651
2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 62489908
N-[3-(aminomethyl)phenyl]-4-ethylbenzamide
CID 18072148
3-methoxy-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38033064

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide;dihydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide;dihydrochloride (CID 165436568) is 4-(aminomethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide;dihydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide;dihydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide;dihydrochloride is Cl.Cl.NCc1ccc(C(=O)Nc2cccc(OC(F)(F)F)c2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide;dihydrochloride?
The InChIKey is HNAAMRQGIRMJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2.2ClH/c16-15(17,18)22-13-3-1-2-12(8-13)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-(trifluoromethoxy)phenyl]benzamide;dihydrochloride?
4-(aminomethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide;dihydrochloride has a molecular weight of 383.20 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide;dihydrochloride is sourced from PubChem (CID 165436568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).