N-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]-N-(1,2,3,4-tetrahydroquinoxalin-6-yl)formamide

C17H14ClF3N4O2 — CID 141055660

IUPACN-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]-N-(1,2,3,4-tetrahydroquinoxalin-6-yl)formamide
SMILESO=CN(C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc2c(c1)NCCN2
InChIInChI=1S/C17H14ClF3N4O2/c18-13-3-1-10(7-12(13)17(19,20)21)24-16(27)25(9-26)11-2-4-14-15(8-11)23-6-5-22-14/h1-4,7-9,22-23H,5-6H2,(H,24,27)
InChIKeyGUAWVVITQPNZRL-UHFFFAOYSA-N
MW398.77 g/mol
LogP4.39
Rot. Bonds3

About N-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]-N-(1,2,3,4-tetrahydroquinoxalin-6-yl)formamide

N-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]-N-(1,2,3,4-tetrahydroquinoxalin-6-yl)formamide (PubChem CID 141055660) has the molecular formula C17H14ClF3N4O2 and a molecular weight of 398.77 g/mol. Its IUPAC name is N-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]-N-(1,2,3,4-tetrahydroquinoxalin-6-yl)formamide.

Molecular Properties

Compound NameN-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]-N-(1,2,3,4-tetrahydroquinoxalin-6-yl)formamide
PubChem CID141055660
Molecular FormulaC17H14ClF3N4O2
Molecular Weight398.77 g/mol
Exact Mass398.08
IUPAC NameN-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]-N-(1,2,3,4-tetrahydroquinoxalin-6-yl)formamide
SMILESO=CN(C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc2c(c1)NCCN2
InChIInChI=1S/C17H14ClF3N4O2/c18-13-3-1-10(7-12(13)17(19,20)21)24-16(27)25(9-26)11-2-4-14-15(8-11)23-6-5-22-14/h1-4,7-9,22-23H,5-6H2,(H,24,27)
InChIKeyGUAWVVITQPNZRL-UHFFFAOYSA-N
XLogP4.39
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.77
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]-N-(1,2,3,4-tetrahydroquinoxalin-6-yl)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-benzodioxol-5-ylcarbamoyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]formamide
CID 22245951
3-[4-chloro-3-(trifluoromethyl)phenyl]-1-phenyl-1-(trifluoromethyl)urea
CID 154269683
3-[4-chloro-3-(trifluoromethyl)phenyl]-1-cyclohexyl-1-prop-2-enylurea
CID 3790430
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-ethenylurea
CID 108909133
N-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 3121382
N-(1,3-benzoxazol-6-ylcarbamoyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]formamide
CID 22245917
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane
CID 142867328
N-[4-chloro-3-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide
CID 803107
3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-sulfanylidenepropanamide
CID 43132915
(E)-4-[4-chloro-3-(trifluoromethyl)anilino]-4-oxobut-2-enoic acid
CID 886533
2-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-cyclopropylacetamide
CID 84515951
3-[4-chloro-3-(trifluoromethyl)phenyl]-1-methyl-1-pentylurea
CID 4582767

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]-N-(1,2,3,4-tetrahydroquinoxalin-6-yl)formamide?
The IUPAC name of N-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]-N-(1,2,3,4-tetrahydroquinoxalin-6-yl)formamide (CID 141055660) is N-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]-N-(1,2,3,4-tetrahydroquinoxalin-6-yl)formamide.
What is the SMILES notation for N-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]-N-(1,2,3,4-tetrahydroquinoxalin-6-yl)formamide?
The canonical SMILES for N-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]-N-(1,2,3,4-tetrahydroquinoxalin-6-yl)formamide is O=CN(C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc2c(c1)NCCN2.
What is the InChIKey of N-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]-N-(1,2,3,4-tetrahydroquinoxalin-6-yl)formamide?
The InChIKey is GUAWVVITQPNZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N4O2/c18-13-3-1-10(7-12(13)17(19,20)21)24-16(27)25(9-26)11-2-4-14-15(8-11)23-6-5-22-14/h1-4,7-9,22-23H,5-6H2,(H,24,27).
What are the key properties of N-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]-N-(1,2,3,4-tetrahydroquinoxalin-6-yl)formamide?
N-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]-N-(1,2,3,4-tetrahydroquinoxalin-6-yl)formamide has a molecular weight of 398.77 g/mol, XLogP of 4.39, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]-N-(1,2,3,4-tetrahydroquinoxalin-6-yl)formamide is sourced from PubChem (CID 141055660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).