N-(1,3-benzoxazol-6-ylcarbamoyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]formamide

C16H9F4N3O3 — CID 22245917

IUPACN-(1,3-benzoxazol-6-ylcarbamoyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]formamide
SMILESO=CN(C(=O)Nc1ccc2ncoc2c1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C16H9F4N3O3/c17-12-3-2-10(6-11(12)16(18,19)20)23(8-24)15(25)22-9-1-4-13-14(5-9)26-7-21-13/h1-8H,(H,22,25)
InChIKeyQKXYMPTZGRPEES-UHFFFAOYSA-N
MW367.26 g/mol
LogP4.18
Rot. Bonds3

About N-(1,3-benzoxazol-6-ylcarbamoyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]formamide

N-(1,3-benzoxazol-6-ylcarbamoyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]formamide (PubChem CID 22245917) has the molecular formula C16H9F4N3O3 and a molecular weight of 367.26 g/mol. Its IUPAC name is N-(1,3-benzoxazol-6-ylcarbamoyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]formamide.

Molecular Properties

Compound NameN-(1,3-benzoxazol-6-ylcarbamoyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]formamide
PubChem CID22245917
Molecular FormulaC16H9F4N3O3
Molecular Weight367.26 g/mol
Exact Mass367.06
IUPAC NameN-(1,3-benzoxazol-6-ylcarbamoyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]formamide
SMILESO=CN(C(=O)Nc1ccc2ncoc2c1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C16H9F4N3O3/c17-12-3-2-10(6-11(12)16(18,19)20)23(8-24)15(25)22-9-1-4-13-14(5-9)26-7-21-13/h1-8H,(H,22,25)
InChIKeyQKXYMPTZGRPEES-UHFFFAOYSA-N
XLogP4.18
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.26
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(1,3-benzoxazol-6-ylcarbamoyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]formamide 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

N-(1,3-benzoxazol-6-yl)-N-[[4-(trifluoromethyl)phenyl]carbamoyl]formamide
CID 87890809
N-(1,3-benzodioxol-5-ylcarbamoyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]formamide
CID 22245951
N-(1,3-benzoxazol-5-yl)-N-[(3,4-dichlorophenyl)carbamoyl]formamide
CID 87890391
N-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]-N-(1,2,3,4-tetrahydroquinoxalin-6-yl)formamide
CID 141055660
N-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]formamide
CID 87918683
N-(1,3-benzoxazol-6-yl)-2-(4-fluorophenyl)acetamide
CID 110728862
(E)-4-(1,3-benzoxazol-6-ylamino)-4-oxobut-2-enoate
CID 7015274
2-amino-4-(1,3-benzoxazol-6-ylamino)-4-oxobutanoic acid
CID 115180959
4-amino-N-(1,3-benzoxazol-6-yl)-2,2-dimethylbutanamide
CID 115156904
N-(1,3-benzoxazol-6-yl)-2-chloro-6-fluorobenzamide
CID 110728878
N-(1,3-benzoxazol-6-yl)-5-chloro-2-hydroxybenzamide
CID 175430925
(2R,3S)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-N-formyl-3-methyl-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 89099389

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-6-ylcarbamoyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]formamide?
The IUPAC name of N-(1,3-benzoxazol-6-ylcarbamoyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]formamide (CID 22245917) is N-(1,3-benzoxazol-6-ylcarbamoyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]formamide.
What is the SMILES notation for N-(1,3-benzoxazol-6-ylcarbamoyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]formamide?
The canonical SMILES for N-(1,3-benzoxazol-6-ylcarbamoyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]formamide is O=CN(C(=O)Nc1ccc2ncoc2c1)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of N-(1,3-benzoxazol-6-ylcarbamoyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]formamide?
The InChIKey is QKXYMPTZGRPEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F4N3O3/c17-12-3-2-10(6-11(12)16(18,19)20)23(8-24)15(25)22-9-1-4-13-14(5-9)26-7-21-13/h1-8H,(H,22,25).
What are the key properties of N-(1,3-benzoxazol-6-ylcarbamoyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]formamide?
N-(1,3-benzoxazol-6-ylcarbamoyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]formamide has a molecular weight of 367.26 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-6-ylcarbamoyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]formamide is sourced from PubChem (CID 22245917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).