N-[2-acetamido-5-(trifluoromethyl)phenyl]-2-methyl-3-(methylamino)propanamide

C14H18F3N3O2 — CID 119707017

IUPACN-[2-acetamido-5-(trifluoromethyl)phenyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)Nc1cc(C(F)(F)F)ccc1NC(C)=O
InChIInChI=1S/C14H18F3N3O2/c1-8(7-18-3)13(22)20-12-6-10(14(15,16)17)4-5-11(12)19-9(2)21/h4-6,8,18H,7H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyBREOPAJZNFNSLD-UHFFFAOYSA-N
MW317.31 g/mol
LogP2.46
Rot. Bonds5

About N-[2-acetamido-5-(trifluoromethyl)phenyl]-2-methyl-3-(methylamino)propanamide

N-[2-acetamido-5-(trifluoromethyl)phenyl]-2-methyl-3-(methylamino)propanamide (PubChem CID 119707017) has the molecular formula C14H18F3N3O2 and a molecular weight of 317.31 g/mol. Its IUPAC name is N-[2-acetamido-5-(trifluoromethyl)phenyl]-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[2-acetamido-5-(trifluoromethyl)phenyl]-2-methyl-3-(methylamino)propanamide
PubChem CID119707017
Molecular FormulaC14H18F3N3O2
Molecular Weight317.31 g/mol
Exact Mass317.14
IUPAC NameN-[2-acetamido-5-(trifluoromethyl)phenyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)Nc1cc(C(F)(F)F)ccc1NC(C)=O
InChIInChI=1S/C14H18F3N3O2/c1-8(7-18-3)13(22)20-12-6-10(14(15,16)17)4-5-11(12)19-9(2)21/h4-6,8,18H,7H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyBREOPAJZNFNSLD-UHFFFAOYSA-N
XLogP2.46
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-methyl-3-(methylamino)propanoyl]amino]-5-(trifluoromethyl)benzoic acid
CID 79203995
N-[2-acetamido-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 48524701
2-methyl-3-(methylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide
CID 119399141
2-methyl-3-(methylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide;hydrochloride
CID 119399140
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 79195644
N-[2-acetamido-5-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 47079713
2-[[2-methyl-3-(methylamino)propanoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide;hydrochloride
CID 119752461
N-[5-fluoro-2-(propan-2-ylamino)phenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119856694
2-methyl-3-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 79196060
N-(5-acetamido-2-fluorophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119705048
N-[2-amino-4-(trifluoromethyl)phenyl]acetamide
CID 2779452
N-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]-3-(trifluoromethyl)benzamide
CID 119775990

Frequently Asked Questions

What is the IUPAC name of N-[2-acetamido-5-(trifluoromethyl)phenyl]-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-[2-acetamido-5-(trifluoromethyl)phenyl]-2-methyl-3-(methylamino)propanamide (CID 119707017) is N-[2-acetamido-5-(trifluoromethyl)phenyl]-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-[2-acetamido-5-(trifluoromethyl)phenyl]-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-[2-acetamido-5-(trifluoromethyl)phenyl]-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)Nc1cc(C(F)(F)F)ccc1NC(C)=O.
What is the InChIKey of N-[2-acetamido-5-(trifluoromethyl)phenyl]-2-methyl-3-(methylamino)propanamide?
The InChIKey is BREOPAJZNFNSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O2/c1-8(7-18-3)13(22)20-12-6-10(14(15,16)17)4-5-11(12)19-9(2)21/h4-6,8,18H,7H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-acetamido-5-(trifluoromethyl)phenyl]-2-methyl-3-(methylamino)propanamide?
N-[2-acetamido-5-(trifluoromethyl)phenyl]-2-methyl-3-(methylamino)propanamide has a molecular weight of 317.31 g/mol, XLogP of 2.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-acetamido-5-(trifluoromethyl)phenyl]-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 119707017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).