N-[2-(carbamoylamino)ethyl]-2-fluoro-3-(trifluoromethyl)benzamide

C11H11F4N3O2 — CID 79885734

IUPACN-[2-(carbamoylamino)ethyl]-2-fluoro-3-(trifluoromethyl)benzamide
SMILESNC(=O)NCCNC(=O)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C11H11F4N3O2/c12-8-6(2-1-3-7(8)11(13,14)15)9(19)17-4-5-18-10(16)20/h1-3H,4-5H2,(H,17,19)(H3,16,18,20)
InChIKeyLDBVGJRZVDVEQT-UHFFFAOYSA-N
MW293.22 g/mol
LogP1.24
Rot. Bonds4

About N-[2-(carbamoylamino)ethyl]-2-fluoro-3-(trifluoromethyl)benzamide

N-[2-(carbamoylamino)ethyl]-2-fluoro-3-(trifluoromethyl)benzamide (PubChem CID 79885734) has the molecular formula C11H11F4N3O2 and a molecular weight of 293.22 g/mol. Its IUPAC name is N-[2-(carbamoylamino)ethyl]-2-fluoro-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(carbamoylamino)ethyl]-2-fluoro-3-(trifluoromethyl)benzamide
PubChem CID79885734
Molecular FormulaC11H11F4N3O2
Molecular Weight293.22 g/mol
Exact Mass293.08
IUPAC NameN-[2-(carbamoylamino)ethyl]-2-fluoro-3-(trifluoromethyl)benzamide
SMILESNC(=O)NCCNC(=O)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C11H11F4N3O2/c12-8-6(2-1-3-7(8)11(13,14)15)9(19)17-4-5-18-10(16)20/h1-3H,4-5H2,(H,17,19)(H3,16,18,20)
InChIKeyLDBVGJRZVDVEQT-UHFFFAOYSA-N
XLogP1.24
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.22
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)-3-oxopropyl]-2-fluoro-3-(trifluoromethyl)benzamide
CID 79883906
N-(2-cyclopropylethyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 79885002
2-fluoro-N-[2-(methylsulfamoyl)ethyl]-3-(trifluoromethyl)benzamide
CID 102685069
2-fluoro-N-(3-hydroxypentyl)-3-(trifluoromethyl)benzamide
CID 115703490
4-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]-2-hydroxybutanoic acid
CID 107832350
N-(2-chloroprop-2-enyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 115681898
methyl 2-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]acetate
CID 79885001
2-fluoro-N-hydroxy-3-(trifluoromethyl)benzamide
CID 18696136
2,3,4-trifluoro-N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 108542423
N-(4-chloro-2,2-dimethylbutyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 106142634
2-fluoro-N-[(1-hydroxycyclobutyl)methyl]-3-(trifluoromethyl)benzamide
CID 111859437
N-(4-bromo-2,2-dimethylbutyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 106143455

Frequently Asked Questions

What is the IUPAC name of N-[2-(carbamoylamino)ethyl]-2-fluoro-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(carbamoylamino)ethyl]-2-fluoro-3-(trifluoromethyl)benzamide (CID 79885734) is N-[2-(carbamoylamino)ethyl]-2-fluoro-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(carbamoylamino)ethyl]-2-fluoro-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(carbamoylamino)ethyl]-2-fluoro-3-(trifluoromethyl)benzamide is NC(=O)NCCNC(=O)c1cccc(C(F)(F)F)c1F.
What is the InChIKey of N-[2-(carbamoylamino)ethyl]-2-fluoro-3-(trifluoromethyl)benzamide?
The InChIKey is LDBVGJRZVDVEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4N3O2/c12-8-6(2-1-3-7(8)11(13,14)15)9(19)17-4-5-18-10(16)20/h1-3H,4-5H2,(H,17,19)(H3,16,18,20).
What are the key properties of N-[2-(carbamoylamino)ethyl]-2-fluoro-3-(trifluoromethyl)benzamide?
N-[2-(carbamoylamino)ethyl]-2-fluoro-3-(trifluoromethyl)benzamide has a molecular weight of 293.22 g/mol, XLogP of 1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(carbamoylamino)ethyl]-2-fluoro-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 79885734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).