3-chloro-N-[2-(cycloheptylamino)ethyl]-5-methylbenzamide

C17H25ClN2O — CID 115306479

IUPAC3-chloro-N-[2-(cycloheptylamino)ethyl]-5-methylbenzamide
SMILESCc1cc(Cl)cc(C(=O)NCCNC2CCCCCC2)c1
InChIInChI=1S/C17H25ClN2O/c1-13-10-14(12-15(18)11-13)17(21)20-9-8-19-16-6-4-2-3-5-7-16/h10-12,16,19H,2-9H2,1H3,(H,20,21)
InChIKeyRUXPFXIZRCTZLV-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.69
Rot. Bonds5

About 3-chloro-N-[2-(cycloheptylamino)ethyl]-5-methylbenzamide

3-chloro-N-[2-(cycloheptylamino)ethyl]-5-methylbenzamide (PubChem CID 115306479) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 3-chloro-N-[2-(cycloheptylamino)ethyl]-5-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(cycloheptylamino)ethyl]-5-methylbenzamide
PubChem CID115306479
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name3-chloro-N-[2-(cycloheptylamino)ethyl]-5-methylbenzamide
SMILESCc1cc(Cl)cc(C(=O)NCCNC2CCCCCC2)c1
InChIInChI=1S/C17H25ClN2O/c1-13-10-14(12-15(18)11-13)17(21)20-9-8-19-16-6-4-2-3-5-7-16/h10-12,16,19H,2-9H2,1H3,(H,20,21)
InChIKeyRUXPFXIZRCTZLV-UHFFFAOYSA-N
XLogP3.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-cyclopentyl-5-methylbenzamide
CID 80948177
N-[2-(cycloheptylamino)ethyl]-3-methyl-5-nitrobenzamide;hydrochloride
CID 119621424
3,4-dichloro-N-[2-(cycloheptylamino)ethyl]benzamide
CID 115280931
5-chloro-N-[2-(cycloheptylamino)ethyl]-2-fluorobenzamide
CID 81486156
N-[2-(cyclopropylamino)ethyl]-4-methylbenzamide
CID 62662954
3-N-[2-(cycloheptylamino)ethyl]-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride
CID 119621482
N-(5-bromopentyl)-3-chloro-5-methylbenzamide
CID 107321722
N-but-3-ynyl-3-chloro-5-methylbenzamide
CID 81002293
N-[2-(cycloheptylamino)ethyl]-4-iodobenzamide
CID 115306464
3-chloro-N-(3-hydroxybutyl)-5-methylbenzamide
CID 81002624
3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-5-methylbenzamide
CID 81323274
N-[2-(4-aminocyclohexyl)oxyethyl]-3-chloro-5-methylbenzamide
CID 81316459

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(cycloheptylamino)ethyl]-5-methylbenzamide?
The IUPAC name of 3-chloro-N-[2-(cycloheptylamino)ethyl]-5-methylbenzamide (CID 115306479) is 3-chloro-N-[2-(cycloheptylamino)ethyl]-5-methylbenzamide.
What is the SMILES notation for 3-chloro-N-[2-(cycloheptylamino)ethyl]-5-methylbenzamide?
The canonical SMILES for 3-chloro-N-[2-(cycloheptylamino)ethyl]-5-methylbenzamide is Cc1cc(Cl)cc(C(=O)NCCNC2CCCCCC2)c1.
What is the InChIKey of 3-chloro-N-[2-(cycloheptylamino)ethyl]-5-methylbenzamide?
The InChIKey is RUXPFXIZRCTZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-13-10-14(12-15(18)11-13)17(21)20-9-8-19-16-6-4-2-3-5-7-16/h10-12,16,19H,2-9H2,1H3,(H,20,21).
What are the key properties of 3-chloro-N-[2-(cycloheptylamino)ethyl]-5-methylbenzamide?
3-chloro-N-[2-(cycloheptylamino)ethyl]-5-methylbenzamide has a molecular weight of 308.85 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(cycloheptylamino)ethyl]-5-methylbenzamide is sourced from PubChem (CID 115306479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).