N-carbamoyl-2-[2-(trifluoromethoxy)anilino]propanamide

C11H12F3N3O3 — CID 43089308

IUPACN-carbamoyl-2-[2-(trifluoromethoxy)anilino]propanamide
SMILESCC(Nc1ccccc1OC(F)(F)F)C(=O)NC(N)=O
InChIInChI=1S/C11H12F3N3O3/c1-6(9(18)17-10(15)19)16-7-4-2-3-5-8(7)20-11(12,13)14/h2-6,16H,1H3,(H3,15,17,18,19)
InChIKeyWURCKSMAIXQPIE-UHFFFAOYSA-N
MW291.23 g/mol
LogP1.58
Rot. Bonds4

About N-carbamoyl-2-[2-(trifluoromethoxy)anilino]propanamide

N-carbamoyl-2-[2-(trifluoromethoxy)anilino]propanamide (PubChem CID 43089308) has the molecular formula C11H12F3N3O3 and a molecular weight of 291.23 g/mol. Its IUPAC name is N-carbamoyl-2-[2-(trifluoromethoxy)anilino]propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-[2-(trifluoromethoxy)anilino]propanamide
PubChem CID43089308
Molecular FormulaC11H12F3N3O3
Molecular Weight291.23 g/mol
Exact Mass291.08
IUPAC NameN-carbamoyl-2-[2-(trifluoromethoxy)anilino]propanamide
SMILESCC(Nc1ccccc1OC(F)(F)F)C(=O)NC(N)=O
InChIInChI=1S/C11H12F3N3O3/c1-6(9(18)17-10(15)19)16-7-4-2-3-5-8(7)20-11(12,13)14/h2-6,16H,1H3,(H3,15,17,18,19)
InChIKeyWURCKSMAIXQPIE-UHFFFAOYSA-N
XLogP1.58
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromoanilino)-N-carbamoylpropanamide
CID 43083796
2-[2-(trifluoromethoxy)anilino]butanoic acid
CID 64668144
N-carbamoyl-2-(2,5-difluoroanilino)propanamide
CID 43083936
methyl 2-[2-(2,2,2-trifluoroethoxy)anilino]propanoate
CID 66174109
(2S)-2-amino-N-[2-(trifluoromethoxy)phenyl]butanamide;hydrochloride
CID 119275178
(2R)-N-(tert-butylcarbamoyl)-2-(2-methoxyanilino)propanamide
CID 35922476
2-(azetidin-3-yl)-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 116674418
N-[1-(2-methylphenyl)ethyl]-2-(trifluoromethoxy)aniline
CID 43111586
3-[2-(trifluoromethoxy)phenyl]butanamide
CID 50995485
1-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 97273170
N-(1-cyclopropylpropan-2-yl)-2-(trifluoromethoxy)aniline
CID 113489688
2-[2-(trifluoromethoxy)anilino]hexanoic acid
CID 103233518

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[2-(trifluoromethoxy)anilino]propanamide?
The IUPAC name of N-carbamoyl-2-[2-(trifluoromethoxy)anilino]propanamide (CID 43089308) is N-carbamoyl-2-[2-(trifluoromethoxy)anilino]propanamide.
What is the SMILES notation for N-carbamoyl-2-[2-(trifluoromethoxy)anilino]propanamide?
The canonical SMILES for N-carbamoyl-2-[2-(trifluoromethoxy)anilino]propanamide is CC(Nc1ccccc1OC(F)(F)F)C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-[2-(trifluoromethoxy)anilino]propanamide?
The InChIKey is WURCKSMAIXQPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O3/c1-6(9(18)17-10(15)19)16-7-4-2-3-5-8(7)20-11(12,13)14/h2-6,16H,1H3,(H3,15,17,18,19).
What are the key properties of N-carbamoyl-2-[2-(trifluoromethoxy)anilino]propanamide?
N-carbamoyl-2-[2-(trifluoromethoxy)anilino]propanamide has a molecular weight of 291.23 g/mol, XLogP of 1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[2-(trifluoromethoxy)anilino]propanamide is sourced from PubChem (CID 43089308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).