N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide

C23H26ClN3O2 — CID 71184437

IUPACN-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide
SMILESNCC1(c2cccc(Cl)c2)CCC(NC(=O)CN2Cc3ccccc3C2=O)CC1
InChIInChI=1S/C23H26ClN3O2/c24-18-6-3-5-17(12-18)23(15-25)10-8-19(9-11-23)26-21(28)14-27-13-16-4-1-2-7-20(16)22(27)29/h1-7,12,19H,8-11,13-15,25H2,(H,26,28)
InChIKeyRROZJAZAVHLBIB-UHFFFAOYSA-N
MW411.93 g/mol
LogP3.25
Rot. Bonds5

About N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide

N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide (PubChem CID 71184437) has the molecular formula C23H26ClN3O2 and a molecular weight of 411.93 g/mol. Its IUPAC name is N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide
PubChem CID71184437
Molecular FormulaC23H26ClN3O2
Molecular Weight411.93 g/mol
Exact Mass411.17
IUPAC NameN-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide
SMILESNCC1(c2cccc(Cl)c2)CCC(NC(=O)CN2Cc3ccccc3C2=O)CC1
InChIInChI=1S/C23H26ClN3O2/c24-18-6-3-5-17(12-18)23(15-25)10-8-19(9-11-23)26-21(28)14-27-13-16-4-1-2-7-20(16)22(27)29/h1-7,12,19H,8-11,13-15,25H2,(H,26,28)
InChIKeyRROZJAZAVHLBIB-UHFFFAOYSA-N
XLogP3.25
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.93
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide 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-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]pyridine-4-carboxamide;hydrochloride
CID 71184788
2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1,4-dihydroisoquinolin-3-one
CID 70297048
4-(aminomethyl)-4-(3-chlorophenyl)cyclohexan-1-amine
CID 69039976
N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]pyridazine-3-carboxamide
CID 70296559
(Z)-N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-imino-4-piperidin-1-ylbut-2-enamide
CID 143705982
2-[4-[1-(3-chlorophenyl)cyclopentanecarbonyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 39279831
(8aR)-2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 70297118
N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-methoxypyridine-3-carboxamide
CID 70295338
1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3-benzylpiperazine-2,5-dione
CID 71184394
1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]cyclopropane-1-carboxamide;hydrochloride
CID 71184478
2-[[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]butanoic acid
CID 119224085
2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-cyclopropyl-3-oxo-6-phenylpyridazine-4-carboxamide;formic acid
CID 71184753

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide?
The IUPAC name of N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide (CID 71184437) is N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide.
What is the SMILES notation for N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide?
The canonical SMILES for N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide is NCC1(c2cccc(Cl)c2)CCC(NC(=O)CN2Cc3ccccc3C2=O)CC1.
What is the InChIKey of N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide?
The InChIKey is RROZJAZAVHLBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O2/c24-18-6-3-5-17(12-18)23(15-25)10-8-19(9-11-23)26-21(28)14-27-13-16-4-1-2-7-20(16)22(27)29/h1-7,12,19H,8-11,13-15,25H2,(H,26,28).
What are the key properties of N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide?
N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide has a molecular weight of 411.93 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide is sourced from PubChem (CID 71184437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).