N-(1-adamantylmethyl)-2-chloro-5-[3-(3-hydroxypropylamino)propyl]benzamide

C24H35ClN2O2 — CID 10161381

IUPACN-(1-adamantylmethyl)-2-chloro-5-[3-(3-hydroxypropylamino)propyl]benzamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(CCCNCCCO)ccc1Cl
InChIInChI=1S/C24H35ClN2O2/c25-22-5-4-17(3-1-6-26-7-2-8-28)12-21(22)23(29)27-16-24-13-18-9-19(14-24)11-20(10-18)15-24/h4-5,12,18-20,26,28H,1-3,6-11,13-16H2,(H,27,29)
InChIKeyHSQAARMBHJCUOK-UHFFFAOYSA-N
MW419.01 g/mol
LogP4.19
Rot. Bonds10

About N-(1-adamantylmethyl)-2-chloro-5-[3-(3-hydroxypropylamino)propyl]benzamide

N-(1-adamantylmethyl)-2-chloro-5-[3-(3-hydroxypropylamino)propyl]benzamide (PubChem CID 10161381) has the molecular formula C24H35ClN2O2 and a molecular weight of 419.01 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-chloro-5-[3-(3-hydroxypropylamino)propyl]benzamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-chloro-5-[3-(3-hydroxypropylamino)propyl]benzamide
PubChem CID10161381
Molecular FormulaC24H35ClN2O2
Molecular Weight419.01 g/mol
Exact Mass418.24
IUPAC NameN-(1-adamantylmethyl)-2-chloro-5-[3-(3-hydroxypropylamino)propyl]benzamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(CCCNCCCO)ccc1Cl
InChIInChI=1S/C24H35ClN2O2/c25-22-5-4-17(3-1-6-26-7-2-8-28)12-21(22)23(29)27-16-24-13-18-9-19(14-24)11-20(10-18)15-24/h4-5,12,18-20,26,28H,1-3,6-11,13-16H2,(H,27,29)
InChIKeyHSQAARMBHJCUOK-UHFFFAOYSA-N
XLogP4.19
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.01
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1-adamantylmethyl)-2-chloro-5-[3-(3-hydroxypropylamino)propyl]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

AZD-9056 hydrochloride
CID 10161380
N-[2-(1-adamantyl)ethyl]-2-chlorobenzamide
CID 2930799
N-(1-adamantylmethyl)-2-chlorobenzamide
CID 2933256
N-(1-adamantylmethyl)-2,4-dichlorobenzamide
CID 5229632
N-[(adamantan-1-yl)methyl]-3-chlorobenzamide
CID 7067209
N-(1-adamantylmethyl)-2,3-dichlorobenzamide
CID 8923923
N-(1-adamantylmethyl)-2-chloro-5-[(2R)-3-(dimethylamino)-2-hydroxypropyl]benzamide
CID 9865961
N-(1-adamantylmethyl)-2-chloro-5-(piperazin-1-ylmethyl)benzamide
CID 10046647
N-[(adamantan-1-yl)methyl]-2,5-dichlorobenzamide
CID 18209153
N-adamantan-1-ylmethyl-2-chloro-5-piperidin-3-ylmethyl-benzamide
CID 18381535
N-(1-adamantylmethyl)-2-chloro-5-(piperidin-4-ylmethyl)benzamide
CID 18381542
N-(1-adamantylmethyl)-2-chloro-5-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-ylmethyl)benzamide
CID 18381562

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2-chloro-5-[3-(3-hydroxypropylamino)propyl]benzamide?
The IUPAC name of N-(1-adamantylmethyl)-2-chloro-5-[3-(3-hydroxypropylamino)propyl]benzamide (CID 10161381) is N-(1-adamantylmethyl)-2-chloro-5-[3-(3-hydroxypropylamino)propyl]benzamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-chloro-5-[3-(3-hydroxypropylamino)propyl]benzamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-chloro-5-[3-(3-hydroxypropylamino)propyl]benzamide is O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(CCCNCCCO)ccc1Cl.
What is the InChIKey of N-(1-adamantylmethyl)-2-chloro-5-[3-(3-hydroxypropylamino)propyl]benzamide?
The InChIKey is HSQAARMBHJCUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35ClN2O2/c25-22-5-4-17(3-1-6-26-7-2-8-28)12-21(22)23(29)27-16-24-13-18-9-19(14-24)11-20(10-18)15-24/h4-5,12,18-20,26,28H,1-3,6-11,13-16H2,(H,27,29).
What are the key properties of N-(1-adamantylmethyl)-2-chloro-5-[3-(3-hydroxypropylamino)propyl]benzamide?
N-(1-adamantylmethyl)-2-chloro-5-[3-(3-hydroxypropylamino)propyl]benzamide has a molecular weight of 419.01 g/mol, XLogP of 4.19, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2-chloro-5-[3-(3-hydroxypropylamino)propyl]benzamide is sourced from PubChem (CID 10161381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).