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

C16H23ClN2O2 — CID 82871139

IUPACN-[2-(4-aminocyclohexyl)oxyethyl]-5-chloro-2-methylbenzamide
SMILESCc1ccc(Cl)cc1C(=O)NCCOC1CCC(N)CC1
InChIInChI=1S/C16H23ClN2O2/c1-11-2-3-12(17)10-15(11)16(20)19-8-9-21-14-6-4-13(18)5-7-14/h2-3,10,13-14H,4-9,18H2,1H3,(H,19,20)
InChIKeyRJCIQZHQKFIHHY-UHFFFAOYSA-N
MW310.82 g/mol
LogP2.66
Rot. Bonds5

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

N-[2-(4-aminocyclohexyl)oxyethyl]-5-chloro-2-methylbenzamide (PubChem CID 82871139) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is N-[2-(4-aminocyclohexyl)oxyethyl]-5-chloro-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(4-aminocyclohexyl)oxyethyl]-5-chloro-2-methylbenzamide
PubChem CID82871139
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC NameN-[2-(4-aminocyclohexyl)oxyethyl]-5-chloro-2-methylbenzamide
SMILESCc1ccc(Cl)cc1C(=O)NCCOC1CCC(N)CC1
InChIInChI=1S/C16H23ClN2O2/c1-11-2-3-12(17)10-15(11)16(20)19-8-9-21-14-6-4-13(18)5-7-14/h2-3,10,13-14H,4-9,18H2,1H3,(H,19,20)
InChIKeyRJCIQZHQKFIHHY-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'}

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Related Compounds

N-[2-(4-aminocyclohexyl)oxyethyl]-4-fluoro-3-methylbenzamide
CID 63870470
N-[2-(4-aminocyclohexyl)oxyethyl]-2-hydroxy-3-methylbenzamide
CID 63870129
N-[2-(4-aminocyclohexyl)oxyethyl]-3-chloro-5-methylbenzamide
CID 81316459
N-[2-(4-aminocyclohexyl)oxyethyl]-3,4-difluorobenzamide
CID 63871300
2-[2-(4-aminocyclohexyl)oxyethylamino]-4-chlorobenzamide
CID 63871527
4-chloro-N-(2-cyclopentyloxyethyl)-2-hydroxybenzamide
CID 55151514
N-[2-(4-aminocyclohexyl)oxyethyl]-2-bromo-5-fluorobenzamide
CID 63870800
N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylpyridine-4-carboxamide
CID 106753638
N-[2-(4-aminocyclohexyl)oxyethyl]-3,5-dihydroxybenzamide
CID 107704978
N-(3-aminopropyl)-5-chloro-2-methylbenzamide
CID 82883577
5-chloro-N-(2-hydroxyethyl)-2-methylbenzamide
CID 115532800
ethyl 4-[(5-chloro-2-methylbenzoyl)amino]butanoate
CID 113329829

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminocyclohexyl)oxyethyl]-5-chloro-2-methylbenzamide?
The IUPAC name of N-[2-(4-aminocyclohexyl)oxyethyl]-5-chloro-2-methylbenzamide (CID 82871139) is N-[2-(4-aminocyclohexyl)oxyethyl]-5-chloro-2-methylbenzamide.
What is the SMILES notation for N-[2-(4-aminocyclohexyl)oxyethyl]-5-chloro-2-methylbenzamide?
The canonical SMILES for N-[2-(4-aminocyclohexyl)oxyethyl]-5-chloro-2-methylbenzamide is Cc1ccc(Cl)cc1C(=O)NCCOC1CCC(N)CC1.
What is the InChIKey of N-[2-(4-aminocyclohexyl)oxyethyl]-5-chloro-2-methylbenzamide?
The InChIKey is RJCIQZHQKFIHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-11-2-3-12(17)10-15(11)16(20)19-8-9-21-14-6-4-13(18)5-7-14/h2-3,10,13-14H,4-9,18H2,1H3,(H,19,20).
What are the key properties of N-[2-(4-aminocyclohexyl)oxyethyl]-5-chloro-2-methylbenzamide?
N-[2-(4-aminocyclohexyl)oxyethyl]-5-chloro-2-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]-5-chloro-2-methylbenzamide is sourced from PubChem (CID 82871139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).