N-[N'-(4-hydroxycyclohexyl)-N-[4-(trifluoromethyl)phenyl]carbamimidoyl]-4-(trifluoromethyl)benzamide

C22H21F6N3O2 — CID 57383239

IUPACN-[N'-(4-hydroxycyclohexyl)-N-[4-(trifluoromethyl)phenyl]carbamimidoyl]-4-(trifluoromethyl)benzamide
SMILESO=C(N/C(=N\C1CCC(O)CC1)Nc1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H21F6N3O2/c23-21(24,25)14-3-1-13(2-4-14)19(33)31-20(30-17-9-11-18(32)12-10-17)29-16-7-5-15(6-8-16)22(26,27)28/h1-8,17-18,32H,9-12H2,(H2,29,30,31,33)
InChIKeyYZZAPCDBYJTVKH-UHFFFAOYSA-N
MW473.42 g/mol
LogP5.23
Rot. Bonds3

About N-[N'-(4-hydroxycyclohexyl)-N-[4-(trifluoromethyl)phenyl]carbamimidoyl]-4-(trifluoromethyl)benzamide

N-[N'-(4-hydroxycyclohexyl)-N-[4-(trifluoromethyl)phenyl]carbamimidoyl]-4-(trifluoromethyl)benzamide (PubChem CID 57383239) has the molecular formula C22H21F6N3O2 and a molecular weight of 473.42 g/mol. Its IUPAC name is N-[N'-(4-hydroxycyclohexyl)-N-[4-(trifluoromethyl)phenyl]carbamimidoyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[N'-(4-hydroxycyclohexyl)-N-[4-(trifluoromethyl)phenyl]carbamimidoyl]-4-(trifluoromethyl)benzamide
PubChem CID57383239
Molecular FormulaC22H21F6N3O2
Molecular Weight473.42 g/mol
Exact Mass473.15
IUPAC NameN-[N'-(4-hydroxycyclohexyl)-N-[4-(trifluoromethyl)phenyl]carbamimidoyl]-4-(trifluoromethyl)benzamide
SMILESO=C(N/C(=N\C1CCC(O)CC1)Nc1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H21F6N3O2/c23-21(24,25)14-3-1-13(2-4-14)19(33)31-20(30-17-9-11-18(32)12-10-17)29-16-7-5-15(6-8-16)22(26,27)28/h1-8,17-18,32H,9-12H2,(H2,29,30,31,33)
InChIKeyYZZAPCDBYJTVKH-UHFFFAOYSA-N
XLogP5.23
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.42
LogP ≤ 55.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[N'-(4-hydroxycyclohexyl)-N-[4-(trifluoromethyl)phenyl]carbamimidoyl]-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

N-[N-(2-cyclopropylphenyl)-N'-(4-hydroxycyclohexyl)carbamimidoyl]-4-(trifluoromethyl)benzamide
CID 57382724
N-[N'-cycloheptyl-N-(6-oxo-1H-pyridin-2-yl)carbamimidoyl]-4-(trifluoromethyl)benzamide
CID 57378361
N-[N'-cyclopentyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]-4-(trifluoromethyl)benzamide
CID 88534785
N-[(4-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)benzamide
CID 106124320
(2S)-N-[4-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 1245791
N-[N-(3,4-dimethoxyphenyl)-N'-[[(2S)-oxolan-2-yl]methyl]carbamimidoyl]-4-(trifluoromethyl)benzamide
CID 94090297
N-(4-methylphenyl)-4-(trifluoromethyl)benzamide
CID 599447
N-cyclopropyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 63374815
4-cyano-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2684239
4-acetamido-N-(4-hydroxycyclohexyl)benzamide
CID 43389222
N-[N'-cyclopentyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]-4-(difluoromethyl)benzamide
CID 67965786
(1E)-1-[amino-[4-(trifluoromethyl)anilino]methylidene]-2-cyclooctylguanidine
CID 21492926

Frequently Asked Questions

What is the IUPAC name of N-[N'-(4-hydroxycyclohexyl)-N-[4-(trifluoromethyl)phenyl]carbamimidoyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[N'-(4-hydroxycyclohexyl)-N-[4-(trifluoromethyl)phenyl]carbamimidoyl]-4-(trifluoromethyl)benzamide (CID 57383239) is N-[N'-(4-hydroxycyclohexyl)-N-[4-(trifluoromethyl)phenyl]carbamimidoyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[N'-(4-hydroxycyclohexyl)-N-[4-(trifluoromethyl)phenyl]carbamimidoyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[N'-(4-hydroxycyclohexyl)-N-[4-(trifluoromethyl)phenyl]carbamimidoyl]-4-(trifluoromethyl)benzamide is O=C(N/C(=N\C1CCC(O)CC1)Nc1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[N'-(4-hydroxycyclohexyl)-N-[4-(trifluoromethyl)phenyl]carbamimidoyl]-4-(trifluoromethyl)benzamide?
The InChIKey is YZZAPCDBYJTVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F6N3O2/c23-21(24,25)14-3-1-13(2-4-14)19(33)31-20(30-17-9-11-18(32)12-10-17)29-16-7-5-15(6-8-16)22(26,27)28/h1-8,17-18,32H,9-12H2,(H2,29,30,31,33).
What are the key properties of N-[N'-(4-hydroxycyclohexyl)-N-[4-(trifluoromethyl)phenyl]carbamimidoyl]-4-(trifluoromethyl)benzamide?
N-[N'-(4-hydroxycyclohexyl)-N-[4-(trifluoromethyl)phenyl]carbamimidoyl]-4-(trifluoromethyl)benzamide has a molecular weight of 473.42 g/mol, XLogP of 5.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N'-(4-hydroxycyclohexyl)-N-[4-(trifluoromethyl)phenyl]carbamimidoyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 57383239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).