N-[3-(chloromethyl)phenyl]cyclooctanecarboxamide

C16H22ClNO — CID 114293358

IUPACN-[3-(chloromethyl)phenyl]cyclooctanecarboxamide
SMILESO=C(Nc1cccc(CCl)c1)C1CCCCCCC1
InChIInChI=1S/C16H22ClNO/c17-12-13-7-6-10-15(11-13)18-16(19)14-8-4-2-1-3-5-9-14/h6-7,10-11,14H,1-5,8-9,12H2,(H,18,19)
InChIKeyPUZQXVHFNHOGJV-UHFFFAOYSA-N
MW279.81 g/mol
LogP4.72
Rot. Bonds3

About N-[3-(chloromethyl)phenyl]cyclooctanecarboxamide

N-[3-(chloromethyl)phenyl]cyclooctanecarboxamide (PubChem CID 114293358) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is N-[3-(chloromethyl)phenyl]cyclooctanecarboxamide.

Molecular Properties

Compound NameN-[3-(chloromethyl)phenyl]cyclooctanecarboxamide
PubChem CID114293358
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC NameN-[3-(chloromethyl)phenyl]cyclooctanecarboxamide
SMILESO=C(Nc1cccc(CCl)c1)C1CCCCCCC1
InChIInChI=1S/C16H22ClNO/c17-12-13-7-6-10-15(11-13)18-16(19)14-8-4-2-1-3-5-9-14/h6-7,10-11,14H,1-5,8-9,12H2,(H,18,19)
InChIKeyPUZQXVHFNHOGJV-UHFFFAOYSA-N
XLogP4.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(chloromethyl)phenyl]cyclobutanecarboxamide
CID 114293317
N-[3-(chloromethyl)phenyl]cyclopropanecarboxamide
CID 114293194
N-[3-(chloromethyl)phenyl]oxolane-3-carboxamide
CID 114293301
3-[[3-(cyclohexanecarbonylamino)phenyl]methylsulfanyl]propanoic acid
CID 119240965
N-[3-(3-phenylpropanoylamino)phenyl]cyclohexanecarboxamide
CID 17222847
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119299314
N-[3-(aminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride
CID 155822223
N-[3-[[[amino(anilino)methylidene]amino]methyl]phenyl]cyclohexanecarboxamide;hydroiodide
CID 110926046
N-[3-[[(4-acetamidophenyl)methylamino]methyl]phenyl]cyclopentanecarboxamide
CID 47052652
N-[(3-acetamidophenyl)methyl]-3-(cyclohexanecarbonylamino)benzamide
CID 39575427
N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 71884647
N-[3-[[[2-(4-aminophenyl)acetyl]amino]methyl]phenyl]cyclohexanecarboxamide;hydrochloride
CID 119738924

Frequently Asked Questions

What is the IUPAC name of N-[3-(chloromethyl)phenyl]cyclooctanecarboxamide?
The IUPAC name of N-[3-(chloromethyl)phenyl]cyclooctanecarboxamide (CID 114293358) is N-[3-(chloromethyl)phenyl]cyclooctanecarboxamide.
What is the SMILES notation for N-[3-(chloromethyl)phenyl]cyclooctanecarboxamide?
The canonical SMILES for N-[3-(chloromethyl)phenyl]cyclooctanecarboxamide is O=C(Nc1cccc(CCl)c1)C1CCCCCCC1.
What is the InChIKey of N-[3-(chloromethyl)phenyl]cyclooctanecarboxamide?
The InChIKey is PUZQXVHFNHOGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c17-12-13-7-6-10-15(11-13)18-16(19)14-8-4-2-1-3-5-9-14/h6-7,10-11,14H,1-5,8-9,12H2,(H,18,19).
What are the key properties of N-[3-(chloromethyl)phenyl]cyclooctanecarboxamide?
N-[3-(chloromethyl)phenyl]cyclooctanecarboxamide has a molecular weight of 279.81 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(chloromethyl)phenyl]cyclooctanecarboxamide is sourced from PubChem (CID 114293358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).