N-(2-aminoethyl)-2-[3-[4-(trifluoromethoxy)phenyl]propanoylamino]benzamide;hydrochloride

C19H21ClF3N3O3 — CID 120604454

IUPACN-(2-aminoethyl)-2-[3-[4-(trifluoromethoxy)phenyl]propanoylamino]benzamide;hydrochloride
SMILESCl.NCCNC(=O)c1ccccc1NC(=O)CCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H20F3N3O3.ClH/c20-19(21,22)28-14-8-5-13(6-9-14)7-10-17(26)25-16-4-2-1-3-15(16)18(27)24-12-11-23;/h1-6,8-9H,7,10-12,23H2,(H,24,27)(H,25,26);1H
InChIKeyLVIBUGDKENWRCW-UHFFFAOYSA-N
MW431.84 g/mol
LogP3.27
Rot. Bonds8

About N-(2-aminoethyl)-2-[3-[4-(trifluoromethoxy)phenyl]propanoylamino]benzamide;hydrochloride

N-(2-aminoethyl)-2-[3-[4-(trifluoromethoxy)phenyl]propanoylamino]benzamide;hydrochloride (PubChem CID 120604454) has the molecular formula C19H21ClF3N3O3 and a molecular weight of 431.84 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[3-[4-(trifluoromethoxy)phenyl]propanoylamino]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[3-[4-(trifluoromethoxy)phenyl]propanoylamino]benzamide;hydrochloride
PubChem CID120604454
Molecular FormulaC19H21ClF3N3O3
Molecular Weight431.84 g/mol
Exact Mass431.12
IUPAC NameN-(2-aminoethyl)-2-[3-[4-(trifluoromethoxy)phenyl]propanoylamino]benzamide;hydrochloride
SMILESCl.NCCNC(=O)c1ccccc1NC(=O)CCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H20F3N3O3.ClH/c20-19(21,22)28-14-8-5-13(6-9-14)7-10-17(26)25-16-4-2-1-3-15(16)18(27)24-12-11-23;/h1-6,8-9H,7,10-12,23H2,(H,24,27)(H,25,26);1H
InChIKeyLVIBUGDKENWRCW-UHFFFAOYSA-N
XLogP3.27
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.84
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-2-[3-(4-ethoxyphenyl)propanoylamino]benzamide
CID 120603849
N-(2-aminoethyl)-2-[3-(4-propoxyphenyl)propanoylamino]benzamide
CID 120604283
N-(2-aminoethyl)-2-(4,4-dimethylpentanoylamino)benzamide
CID 120604437
3-amino-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]propanamide;hydrochloride
CID 119288366
N-(2-aminoethyl)-2-[[4-(4-ethylphenyl)-4-oxobutanoyl]amino]benzamide;hydrochloride
CID 120604472
2-[3-(4-tert-butylphenyl)propanoylamino]-N-(2-methoxyethyl)benzamide
CID 41455603
N-(2-aminoethyl)-2-(4-benzamidobutanoylamino)benzamide
CID 120604009
N-(2-methoxyethyl)-2-(3-phenylpropanoylamino)benzamide
CID 2206654
N-(2-aminoethyl)-2-(2,2,2-trifluoroethylcarbamoylamino)benzamide
CID 107000067
N-(2-aminoethyl)-2-[3-(5-chlorothiophen-2-yl)propanoylamino]benzamide;hydrochloride
CID 120603678
N-(2-aminoethyl)-2-[3-(2,4-dimethylphenyl)propanoylamino]benzamide;hydrochloride
CID 120604204
2-[3-(3,4-difluorophenyl)propanoylamino]-N-(2-methoxyethyl)benzamide
CID 46686812

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[3-[4-(trifluoromethoxy)phenyl]propanoylamino]benzamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-2-[3-[4-(trifluoromethoxy)phenyl]propanoylamino]benzamide;hydrochloride (CID 120604454) is N-(2-aminoethyl)-2-[3-[4-(trifluoromethoxy)phenyl]propanoylamino]benzamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-2-[3-[4-(trifluoromethoxy)phenyl]propanoylamino]benzamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-2-[3-[4-(trifluoromethoxy)phenyl]propanoylamino]benzamide;hydrochloride is Cl.NCCNC(=O)c1ccccc1NC(=O)CCc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(2-aminoethyl)-2-[3-[4-(trifluoromethoxy)phenyl]propanoylamino]benzamide;hydrochloride?
The InChIKey is LVIBUGDKENWRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O3.ClH/c20-19(21,22)28-14-8-5-13(6-9-14)7-10-17(26)25-16-4-2-1-3-15(16)18(27)24-12-11-23;/h1-6,8-9H,7,10-12,23H2,(H,24,27)(H,25,26);1H.
What are the key properties of N-(2-aminoethyl)-2-[3-[4-(trifluoromethoxy)phenyl]propanoylamino]benzamide;hydrochloride?
N-(2-aminoethyl)-2-[3-[4-(trifluoromethoxy)phenyl]propanoylamino]benzamide;hydrochloride has a molecular weight of 431.84 g/mol, XLogP of 3.27, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[3-[4-(trifluoromethoxy)phenyl]propanoylamino]benzamide;hydrochloride is sourced from PubChem (CID 120604454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).