N-[2-(4-aminocyclohexyl)oxyethyl]-3-chloro-5-methylbenzamide

C16H23ClN2O2 — CID 81316459

IUPACN-[2-(4-aminocyclohexyl)oxyethyl]-3-chloro-5-methylbenzamide
SMILESCc1cc(Cl)cc(C(=O)NCCOC2CCC(N)CC2)c1
InChIInChI=1S/C16H23ClN2O2/c1-11-8-12(10-13(17)9-11)16(20)19-6-7-21-15-4-2-14(18)3-5-15/h8-10,14-15H,2-7,18H2,1H3,(H,19,20)
InChIKeyHTNPAWJZNDJGIP-UHFFFAOYSA-N
MW310.82 g/mol
LogP2.66
Rot. Bonds5

About N-[2-(4-aminocyclohexyl)oxyethyl]-3-chloro-5-methylbenzamide

N-[2-(4-aminocyclohexyl)oxyethyl]-3-chloro-5-methylbenzamide (PubChem CID 81316459) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is N-[2-(4-aminocyclohexyl)oxyethyl]-3-chloro-5-methylbenzamide.

Molecular Properties

Compound NameN-[2-(4-aminocyclohexyl)oxyethyl]-3-chloro-5-methylbenzamide
PubChem CID81316459
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC NameN-[2-(4-aminocyclohexyl)oxyethyl]-3-chloro-5-methylbenzamide
SMILESCc1cc(Cl)cc(C(=O)NCCOC2CCC(N)CC2)c1
InChIInChI=1S/C16H23ClN2O2/c1-11-8-12(10-13(17)9-11)16(20)19-6-7-21-15-4-2-14(18)3-5-15/h8-10,14-15H,2-7,18H2,1H3,(H,19,20)
InChIKeyHTNPAWJZNDJGIP-UHFFFAOYSA-N
XLogP2.66
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(4-aminocyclohexyl)oxyethyl]-3-chloro-5-methylbenzamide 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-[2-(4-aminocyclohexyl)oxyethyl]-3,5-dihydroxybenzamide
CID 107704978
N-[2-(4-aminocyclohexyl)oxyethyl]-5-chloro-2-methylbenzamide
CID 82871139
N-[2-(4-aminocyclohexyl)oxyethyl]-4-fluoro-3-methylbenzamide
CID 63870470
N-[2-(4-aminocyclohexyl)oxyethyl]-3,4-difluorobenzamide
CID 63871300
N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylpyridine-4-carboxamide
CID 106753638
N-[2-(4-aminocyclohexyl)oxyethyl]-5-hydroxypyridine-3-carboxamide
CID 63869966
4-amino-3,5-dichloro-N-(2-cyclopentyloxyethyl)benzamide
CID 82833373
ethyl 4-[(3-chloro-5-methylbenzoyl)amino]butanoate
CID 80980209
3-chloro-N-[2-(cycloheptylamino)ethyl]-5-methylbenzamide
CID 115306479
N-(5-bromopentyl)-3-chloro-5-methylbenzamide
CID 107321722
N-[2-(4-aminocyclohexyl)oxyethyl]-2-hydroxy-3-methylbenzamide
CID 63870129
2-chloro-N-(2-cyclopentyloxyethyl)-6-methylpyridine-4-carboxamide
CID 113378437

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminocyclohexyl)oxyethyl]-3-chloro-5-methylbenzamide?
The IUPAC name of N-[2-(4-aminocyclohexyl)oxyethyl]-3-chloro-5-methylbenzamide (CID 81316459) is N-[2-(4-aminocyclohexyl)oxyethyl]-3-chloro-5-methylbenzamide.
What is the SMILES notation for N-[2-(4-aminocyclohexyl)oxyethyl]-3-chloro-5-methylbenzamide?
The canonical SMILES for N-[2-(4-aminocyclohexyl)oxyethyl]-3-chloro-5-methylbenzamide is Cc1cc(Cl)cc(C(=O)NCCOC2CCC(N)CC2)c1.
What is the InChIKey of N-[2-(4-aminocyclohexyl)oxyethyl]-3-chloro-5-methylbenzamide?
The InChIKey is HTNPAWJZNDJGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-11-8-12(10-13(17)9-11)16(20)19-6-7-21-15-4-2-14(18)3-5-15/h8-10,14-15H,2-7,18H2,1H3,(H,19,20).
What are the key properties of N-[2-(4-aminocyclohexyl)oxyethyl]-3-chloro-5-methylbenzamide?
N-[2-(4-aminocyclohexyl)oxyethyl]-3-chloro-5-methylbenzamide has a molecular weight of 310.82 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminocyclohexyl)oxyethyl]-3-chloro-5-methylbenzamide is sourced from PubChem (CID 81316459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).