1-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide

C32H36FN3O3 — CID 43821471

IUPAC1-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide
SMILESO=C(Cc1ccccc1)N(Cc1ccc(F)cc1)C1(C(=O)Nc2ccc(N3CCOCC3)cc2)CCCCC1
InChIInChI=1S/C32H36FN3O3/c33-27-11-9-26(10-12-27)24-36(30(37)23-25-7-3-1-4-8-25)32(17-5-2-6-18-32)31(38)34-28-13-15-29(16-14-28)35-19-21-39-22-20-35/h1,3-4,7-16H,2,5-6,17-24H2,(H,34,38)
InChIKeyZNMNFHAYJJLMQM-UHFFFAOYSA-N
MW529.66 g/mol
LogP5.58
Rot. Bonds8

About 1-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide

1-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide (PubChem CID 43821471) has the molecular formula C32H36FN3O3 and a molecular weight of 529.66 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide
PubChem CID43821471
Molecular FormulaC32H36FN3O3
Molecular Weight529.66 g/mol
Exact Mass529.27
IUPAC Name1-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide
SMILESO=C(Cc1ccccc1)N(Cc1ccc(F)cc1)C1(C(=O)Nc2ccc(N3CCOCC3)cc2)CCCCC1
InChIInChI=1S/C32H36FN3O3/c33-27-11-9-26(10-12-27)24-36(30(37)23-25-7-3-1-4-8-25)32(17-5-2-6-18-32)31(38)34-28-13-15-29(16-14-28)35-19-21-39-22-20-35/h1,3-4,7-16H,2,5-6,17-24H2,(H,34,38)
InChIKeyZNMNFHAYJJLMQM-UHFFFAOYSA-N
XLogP5.58
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.66
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 1-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide 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-[4-(dimethylamino)phenyl]-1-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]cyclohexane-1-carboxamide
CID 4283907
1-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)cyclopentane-1-carboxamide
CID 43820154
1-[benzyl-[2-[(1R,3S)-2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]acetyl]amino]-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide
CID 17037649
1-[benzyl-[2-[(1S,3S)-2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]acetyl]amino]-N-(4-morpholin-4-ylphenyl)cyclopentane-1-carboxamide
CID 98203285
2-[benzyl-(2-phenylacetyl)amino]-2-(4-fluorophenyl)-N-(4-morpholin-4-ylphenyl)acetamide
CID 4087761
2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-N-(4-morpholin-4-ylphenyl)-2-(4-propan-2-ylphenyl)acetamide
CID 43821473
(2R)-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)acetamide
CID 98460831
1-[furan-2-ylmethyl-[2-(4-phenyl-2-sulfanylideneimidazolidin-1-yl)acetyl]amino]-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide
CID 5215214
3-(4-fluorophenyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]urea
CID 27734751
N-(2,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]cyclopentane-1-carboxamide
CID 43821188
1-[[2-[(1S,3R)-2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]acetyl]-(pyridin-3-ylmethyl)amino]-N-(4-morpholin-4-ylphenyl)cyclopentane-1-carboxamide
CID 98203268
2-(4-fluorophenyl)-N-[4-(4-phenylpiperazin-1-yl)phenyl]acetamide
CID 112983945

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide (CID 43821471) is 1-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide is O=C(Cc1ccccc1)N(Cc1ccc(F)cc1)C1(C(=O)Nc2ccc(N3CCOCC3)cc2)CCCCC1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide?
The InChIKey is ZNMNFHAYJJLMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36FN3O3/c33-27-11-9-26(10-12-27)24-36(30(37)23-25-7-3-1-4-8-25)32(17-5-2-6-18-32)31(38)34-28-13-15-29(16-14-28)35-19-21-39-22-20-35/h1,3-4,7-16H,2,5-6,17-24H2,(H,34,38).
What are the key properties of 1-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide?
1-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide has a molecular weight of 529.66 g/mol, XLogP of 5.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 43821471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).