cyclopropane;N-[2-[(5-fluoropyrimidin-2-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide

C17H16F4N4O2 — CID 172622928

IUPACcyclopropane;N-[2-[(5-fluoropyrimidin-2-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
SMILESC1CC1.O=C(CNC(=O)c1ccc(C(F)(F)F)cc1)Nc1ncc(F)cn1
InChIInChI=1S/C14H10F4N4O2.C3H6/c15-10-5-20-13(21-6-10)22-11(23)7-19-12(24)8-1-3-9(4-2-8)14(16,17)18;1-2-3-1/h1-6H,7H2,(H,19,24)(H,20,21,22,23);1-3H2
InChIKeyBCMZQZNJCDYPIN-UHFFFAOYSA-N
MW384.33 g/mol
LogP3.17
Rot. Bonds4

About cyclopropane;N-[2-[(5-fluoropyrimidin-2-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide

cyclopropane;N-[2-[(5-fluoropyrimidin-2-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide (PubChem CID 172622928) has the molecular formula C17H16F4N4O2 and a molecular weight of 384.33 g/mol. Its IUPAC name is cyclopropane;N-[2-[(5-fluoropyrimidin-2-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Namecyclopropane;N-[2-[(5-fluoropyrimidin-2-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
PubChem CID172622928
Molecular FormulaC17H16F4N4O2
Molecular Weight384.33 g/mol
Exact Mass384.12
IUPAC Namecyclopropane;N-[2-[(5-fluoropyrimidin-2-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
SMILESC1CC1.O=C(CNC(=O)c1ccc(C(F)(F)F)cc1)Nc1ncc(F)cn1
InChIInChI=1S/C14H10F4N4O2.C3H6/c15-10-5-20-13(21-6-10)22-11(23)7-19-12(24)8-1-3-9(4-2-8)14(16,17)18;1-2-3-1/h1-6H,7H2,(H,19,24)(H,20,21,22,23);1-3H2
InChIKeyBCMZQZNJCDYPIN-UHFFFAOYSA-N
XLogP3.17
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.33
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze cyclopropane;N-[2-[(5-fluoropyrimidin-2-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide 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

4-methyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide
CID 770701
4-fluoro-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide
CID 27052452
N-[2-(4-acetylanilino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 26681918
methyl 4-[[2-[[4-(trifluoromethyl)benzoyl]amino]acetyl]amino]benzoate
CID 9413553
N-[2-oxo-2-[(5-phenyl-1,3-thiazol-2-yl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 86891581
4-fluoro-N-[2-oxo-2-[2-[4-(trifluoromethyl)phenoxy]ethylamino]ethyl]benzamide
CID 47059246
N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 112993165
N-[2-(2-methylpropylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 86976279
N-[2-(2-ethoxyanilino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 112998798
4-butoxy-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide
CID 4288928
N-[2-[2-(methylamino)ethylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 119503351
N-[2-(butylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 112990650

Frequently Asked Questions

What is the IUPAC name of cyclopropane;N-[2-[(5-fluoropyrimidin-2-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of cyclopropane;N-[2-[(5-fluoropyrimidin-2-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide (CID 172622928) is cyclopropane;N-[2-[(5-fluoropyrimidin-2-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for cyclopropane;N-[2-[(5-fluoropyrimidin-2-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for cyclopropane;N-[2-[(5-fluoropyrimidin-2-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide is C1CC1.O=C(CNC(=O)c1ccc(C(F)(F)F)cc1)Nc1ncc(F)cn1.
What is the InChIKey of cyclopropane;N-[2-[(5-fluoropyrimidin-2-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is BCMZQZNJCDYPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4N4O2.C3H6/c15-10-5-20-13(21-6-10)22-11(23)7-19-12(24)8-1-3-9(4-2-8)14(16,17)18;1-2-3-1/h1-6H,7H2,(H,19,24)(H,20,21,22,23);1-3H2.
What are the key properties of cyclopropane;N-[2-[(5-fluoropyrimidin-2-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide?
cyclopropane;N-[2-[(5-fluoropyrimidin-2-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 384.33 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane;N-[2-[(5-fluoropyrimidin-2-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 172622928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).