2-methyl-4-[[[2-phenyl-2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]methyl]benzamide

C19H18F3N3O3 — CID 87958540

IUPAC2-methyl-4-[[[2-phenyl-2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]methyl]benzamide
SMILESCc1cc(CNC(=O)C(NC(=O)C(F)(F)F)c2ccccc2)ccc1C(N)=O
InChIInChI=1S/C19H18F3N3O3/c1-11-9-12(7-8-14(11)16(23)26)10-24-17(27)15(13-5-3-2-4-6-13)25-18(28)19(20,21)22/h2-9,15H,10H2,1H3,(H2,23,26)(H,24,27)(H,25,28)
InChIKeyVRCSJVSUNIQNMU-UHFFFAOYSA-N
MW393.37 g/mol
LogP2.13
Rot. Bonds6

About 2-methyl-4-[[[2-phenyl-2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]methyl]benzamide

2-methyl-4-[[[2-phenyl-2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]methyl]benzamide (PubChem CID 87958540) has the molecular formula C19H18F3N3O3 and a molecular weight of 393.37 g/mol. Its IUPAC name is 2-methyl-4-[[[2-phenyl-2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]methyl]benzamide.

Molecular Properties

Compound Name2-methyl-4-[[[2-phenyl-2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]methyl]benzamide
PubChem CID87958540
Molecular FormulaC19H18F3N3O3
Molecular Weight393.37 g/mol
Exact Mass393.13
IUPAC Name2-methyl-4-[[[2-phenyl-2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]methyl]benzamide
SMILESCc1cc(CNC(=O)C(NC(=O)C(F)(F)F)c2ccccc2)ccc1C(N)=O
InChIInChI=1S/C19H18F3N3O3/c1-11-9-12(7-8-14(11)16(23)26)10-24-17(27)15(13-5-3-2-4-6-13)25-18(28)19(20,21)22/h2-9,15H,10H2,1H3,(H2,23,26)(H,24,27)(H,25,28)
InChIKeyVRCSJVSUNIQNMU-UHFFFAOYSA-N
XLogP2.13
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-oxo-1-phenyl-2-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]ethyl]benzamide
CID 55502593
N-(3-bromo-2-oxo-1-phenylpropyl)-2,2,2-trifluoroacetamide
CID 104700780
N-benzyl-2-[(4-methoxyphenyl)methylamino]-2-phenylacetamide
CID 68961679
methyl (3R)-3-[[2-[(3,4-dimethylphenyl)methylamino]-2-oxo-1-(4-phenylphenyl)ethyl]carbamoyl]-5-methylhexanoate
CID 86614710
4-(hydroxymethyl)-2-methylbenzamide
CID 69484226
N-benzyl-2-(benzylamino)-2-phenylacetamide
CID 3577871
N'-benzyl-2-phenylpropanediamide
CID 57080466
N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-phenylsulfanylpropanamide
CID 86933520
N-[2-oxo-1-phenyl-2-[[4-(phenylmethoxymethyl)phenyl]methylamino]ethyl]benzamide
CID 60553571
2-(carbamoylamino)-2-phenyl-N-propylacetamide
CID 60723613
methyl 2-methyl-4-[[(1-phenylcyclopropyl)amino]methyl]benzoate;2,2,2-trifluoroacetic acid
CID 154844777
ethyl 2-phenyl-2-(3,3,3-trifluoropropylamino)acetate
CID 113245783

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[[2-phenyl-2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]methyl]benzamide?
The IUPAC name of 2-methyl-4-[[[2-phenyl-2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]methyl]benzamide (CID 87958540) is 2-methyl-4-[[[2-phenyl-2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]methyl]benzamide.
What is the SMILES notation for 2-methyl-4-[[[2-phenyl-2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]methyl]benzamide?
The canonical SMILES for 2-methyl-4-[[[2-phenyl-2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]methyl]benzamide is Cc1cc(CNC(=O)C(NC(=O)C(F)(F)F)c2ccccc2)ccc1C(N)=O.
What is the InChIKey of 2-methyl-4-[[[2-phenyl-2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]methyl]benzamide?
The InChIKey is VRCSJVSUNIQNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O3/c1-11-9-12(7-8-14(11)16(23)26)10-24-17(27)15(13-5-3-2-4-6-13)25-18(28)19(20,21)22/h2-9,15H,10H2,1H3,(H2,23,26)(H,24,27)(H,25,28).
What are the key properties of 2-methyl-4-[[[2-phenyl-2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]methyl]benzamide?
2-methyl-4-[[[2-phenyl-2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]methyl]benzamide has a molecular weight of 393.37 g/mol, XLogP of 2.13, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[[2-phenyl-2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]methyl]benzamide is sourced from PubChem (CID 87958540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).