N-[2-(cyclopropanecarbonylamino)ethyl]-3,4,5-trifluorobenzamide

C13H13F3N2O2 — CID 115610674

IUPACN-[2-(cyclopropanecarbonylamino)ethyl]-3,4,5-trifluorobenzamide
SMILESO=C(NCCNC(=O)C1CC1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C13H13F3N2O2/c14-9-5-8(6-10(15)11(9)16)13(20)18-4-3-17-12(19)7-1-2-7/h5-7H,1-4H2,(H,17,19)(H,18,20)
InChIKeyYWWZVNGZXURHKE-UHFFFAOYSA-N
MW286.25 g/mol
LogP1.36
Rot. Bonds5

About N-[2-(cyclopropanecarbonylamino)ethyl]-3,4,5-trifluorobenzamide

N-[2-(cyclopropanecarbonylamino)ethyl]-3,4,5-trifluorobenzamide (PubChem CID 115610674) has the molecular formula C13H13F3N2O2 and a molecular weight of 286.25 g/mol. Its IUPAC name is N-[2-(cyclopropanecarbonylamino)ethyl]-3,4,5-trifluorobenzamide.

Molecular Properties

Compound NameN-[2-(cyclopropanecarbonylamino)ethyl]-3,4,5-trifluorobenzamide
PubChem CID115610674
Molecular FormulaC13H13F3N2O2
Molecular Weight286.25 g/mol
Exact Mass286.09
IUPAC NameN-[2-(cyclopropanecarbonylamino)ethyl]-3,4,5-trifluorobenzamide
SMILESO=C(NCCNC(=O)C1CC1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C13H13F3N2O2/c14-9-5-8(6-10(15)11(9)16)13(20)18-4-3-17-12(19)7-1-2-7/h5-7H,1-4H2,(H,17,19)(H,18,20)
InChIKeyYWWZVNGZXURHKE-UHFFFAOYSA-N
XLogP1.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze N-[2-(cyclopropanecarbonylamino)ethyl]-3,4,5-trifluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-4-fluorobenzamide
CID 115738037
N-[2-(cyclopropanecarbonylamino)ethyl]-2,3,4-trifluorobenzamide
CID 108542400
N-[2-(cyclopropanecarbonylamino)ethyl]-2-fluoropyridine-4-carboxamide
CID 115598986
N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-4-carboxamide
CID 46103850
N-[2-(cyclohexanecarbonylamino)ethyl]-3,5-dihydroxybenzamide
CID 108538987
4-bromo-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide
CID 47098981
N-[2-(cyclopropanecarbonylamino)ethyl]-2-fluoro-5-methylbenzamide
CID 113230363
N-[3-(cyclopropylmethoxy)propyl]-3,4,5-trifluorobenzamide
CID 63189178
3,4,5-trifluoro-N-(3,3,3-trifluoropropyl)benzamide
CID 55175919
3,4,5-trifluoro-N-pent-4-ynylbenzamide
CID 103708893
N-[2-(cyclopropanecarbonylamino)ethyl]-5-iodothiophene-3-carboxamide
CID 115618086
3,4,5-trifluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 115610737

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropanecarbonylamino)ethyl]-3,4,5-trifluorobenzamide?
The IUPAC name of N-[2-(cyclopropanecarbonylamino)ethyl]-3,4,5-trifluorobenzamide (CID 115610674) is N-[2-(cyclopropanecarbonylamino)ethyl]-3,4,5-trifluorobenzamide.
What is the SMILES notation for N-[2-(cyclopropanecarbonylamino)ethyl]-3,4,5-trifluorobenzamide?
The canonical SMILES for N-[2-(cyclopropanecarbonylamino)ethyl]-3,4,5-trifluorobenzamide is O=C(NCCNC(=O)C1CC1)c1cc(F)c(F)c(F)c1.
What is the InChIKey of N-[2-(cyclopropanecarbonylamino)ethyl]-3,4,5-trifluorobenzamide?
The InChIKey is YWWZVNGZXURHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O2/c14-9-5-8(6-10(15)11(9)16)13(20)18-4-3-17-12(19)7-1-2-7/h5-7H,1-4H2,(H,17,19)(H,18,20).
What are the key properties of N-[2-(cyclopropanecarbonylamino)ethyl]-3,4,5-trifluorobenzamide?
N-[2-(cyclopropanecarbonylamino)ethyl]-3,4,5-trifluorobenzamide has a molecular weight of 286.25 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropanecarbonylamino)ethyl]-3,4,5-trifluorobenzamide is sourced from PubChem (CID 115610674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).