N-methyl-3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]propanamide

C13H16F3N3O2 — CID 74234598

IUPACN-methyl-3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]propanamide
SMILESCNC(=O)CCc1cccc(NC(=O)NCC(F)(F)F)c1
InChIInChI=1S/C13H16F3N3O2/c1-17-11(20)6-5-9-3-2-4-10(7-9)19-12(21)18-8-13(14,15)16/h2-4,7H,5-6,8H2,1H3,(H,17,20)(H2,18,19,21)
InChIKeyZUHLNRZTVFRDMX-UHFFFAOYSA-N
MW303.28 g/mol
LogP2.05
Rot. Bonds5

About N-methyl-3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]propanamide

N-methyl-3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]propanamide (PubChem CID 74234598) has the molecular formula C13H16F3N3O2 and a molecular weight of 303.28 g/mol. Its IUPAC name is N-methyl-3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]propanamide.

Molecular Properties

Compound NameN-methyl-3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]propanamide
PubChem CID74234598
Molecular FormulaC13H16F3N3O2
Molecular Weight303.28 g/mol
Exact Mass303.12
IUPAC NameN-methyl-3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]propanamide
SMILESCNC(=O)CCc1cccc(NC(=O)NCC(F)(F)F)c1
InChIInChI=1S/C13H16F3N3O2/c1-17-11(20)6-5-9-3-2-4-10(7-9)19-12(21)18-8-13(14,15)16/h2-4,7H,5-6,8H2,1H3,(H,17,20)(H2,18,19,21)
InChIKeyZUHLNRZTVFRDMX-UHFFFAOYSA-N
XLogP2.05
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(methoxymethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 113224218
1-(3-ethoxyphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 47332046
1-(3-ethynylphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 115583941
N-methyl-N-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]acetamide
CID 118788732
3-[3-(2,2-difluoroethylcarbamoylamino)phenyl]propanoic acid
CID 113303949
3-[3-(tert-butylcarbamoylamino)phenyl]propanoic acid
CID 115339448
3-amino-N-[3-(3,3,3-trifluoropropyl)phenyl]propanamide
CID 119343965
ethyl 3-[4-(2,2,2-trifluoroethylcarbamoylamino)phenyl]propanoate
CID 75372926
1-[3-(3-aminopropyl)phenyl]-3-methylurea
CID 89494810
1-(4-hydroxy-3-methylphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 86795263
4-fluoro-N-[3-[(2,2,2-trifluoroethylcarbamoylamino)methyl]phenyl]benzamide
CID 47066077
3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-methylpropanamide
CID 90676450

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]propanamide?
The IUPAC name of N-methyl-3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]propanamide (CID 74234598) is N-methyl-3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]propanamide.
What is the SMILES notation for N-methyl-3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]propanamide?
The canonical SMILES for N-methyl-3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]propanamide is CNC(=O)CCc1cccc(NC(=O)NCC(F)(F)F)c1.
What is the InChIKey of N-methyl-3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]propanamide?
The InChIKey is ZUHLNRZTVFRDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O2/c1-17-11(20)6-5-9-3-2-4-10(7-9)19-12(21)18-8-13(14,15)16/h2-4,7H,5-6,8H2,1H3,(H,17,20)(H2,18,19,21).
What are the key properties of N-methyl-3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]propanamide?
N-methyl-3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]propanamide has a molecular weight of 303.28 g/mol, XLogP of 2.05, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]propanamide is sourced from PubChem (CID 74234598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).