2-[[2-methyl-3-(methylamino)propanoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide;hydrochloride

C19H21ClF3N3O2 — CID 119752461

IUPAC2-[[2-methyl-3-(methylamino)propanoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide;hydrochloride
SMILESCNCC(C)C(=O)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C19H20F3N3O2.ClH/c1-12(11-23-2)17(26)25-16-9-4-3-8-15(16)18(27)24-14-7-5-6-13(10-14)19(20,21)22;/h3-10,12,23H,11H2,1-2H3,(H,24,27)(H,25,26);1H
InChIKeyRKGVZDCFZSBSAN-UHFFFAOYSA-N
MW415.84 g/mol
LogP4.17
Rot. Bonds6

About 2-[[2-methyl-3-(methylamino)propanoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide;hydrochloride

2-[[2-methyl-3-(methylamino)propanoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide;hydrochloride (PubChem CID 119752461) has the molecular formula C19H21ClF3N3O2 and a molecular weight of 415.84 g/mol. Its IUPAC name is 2-[[2-methyl-3-(methylamino)propanoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide;hydrochloride.

Molecular Properties

Compound Name2-[[2-methyl-3-(methylamino)propanoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide;hydrochloride
PubChem CID119752461
Molecular FormulaC19H21ClF3N3O2
Molecular Weight415.84 g/mol
Exact Mass415.13
IUPAC Name2-[[2-methyl-3-(methylamino)propanoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide;hydrochloride
SMILESCNCC(C)C(=O)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C19H20F3N3O2.ClH/c1-12(11-23-2)17(26)25-16-9-4-3-8-15(16)18(27)24-14-7-5-6-13(10-14)19(20,21)22;/h3-10,12,23H,11H2,1-2H3,(H,24,27)(H,25,26);1H
InChIKeyRKGVZDCFZSBSAN-UHFFFAOYSA-N
XLogP4.17
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.84
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]-3-(trifluoromethyl)benzamide
CID 119775990
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CID 79203995
2-methyl-3-[[(2S)-2-phenylpropanoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 124680099
3-(ethylamino)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 62853406
2-benzyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2399730
2-[(4-chlorobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 90011775
2-[(3-iodobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 4107878
N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]piperidine-4-carboxamide;hydrochloride
CID 119305471
N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 24671974
N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]cycloheptanecarboxamide
CID 56593317
2-(cyclohexanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1313916
2-methyl-3-(methylamino)-N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propanamide;hydrochloride
CID 119773685

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-3-(methylamino)propanoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide;hydrochloride?
The IUPAC name of 2-[[2-methyl-3-(methylamino)propanoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide;hydrochloride (CID 119752461) is 2-[[2-methyl-3-(methylamino)propanoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide;hydrochloride.
What is the SMILES notation for 2-[[2-methyl-3-(methylamino)propanoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide;hydrochloride?
The canonical SMILES for 2-[[2-methyl-3-(methylamino)propanoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide;hydrochloride is CNCC(C)C(=O)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1.Cl.
What is the InChIKey of 2-[[2-methyl-3-(methylamino)propanoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide;hydrochloride?
The InChIKey is RKGVZDCFZSBSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2.ClH/c1-12(11-23-2)17(26)25-16-9-4-3-8-15(16)18(27)24-14-7-5-6-13(10-14)19(20,21)22;/h3-10,12,23H,11H2,1-2H3,(H,24,27)(H,25,26);1H.
What are the key properties of 2-[[2-methyl-3-(methylamino)propanoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide;hydrochloride?
2-[[2-methyl-3-(methylamino)propanoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide;hydrochloride has a molecular weight of 415.84 g/mol, XLogP of 4.17, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-3-(methylamino)propanoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide;hydrochloride is sourced from PubChem (CID 119752461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).