4-(chloromethyl)-N-(3-cyclopentylpropyl)benzamide

C16H22ClNO — CID 106009628

IUPAC4-(chloromethyl)-N-(3-cyclopentylpropyl)benzamide
SMILESO=C(NCCCC1CCCC1)c1ccc(CCl)cc1
InChIInChI=1S/C16H22ClNO/c17-12-14-7-9-15(10-8-14)16(19)18-11-3-6-13-4-1-2-5-13/h7-10,13H,1-6,11-12H2,(H,18,19)
InChIKeyOUIQLPMJQGEKKF-UHFFFAOYSA-N
MW279.81 g/mol
LogP4.13
Rot. Bonds6

About 4-(chloromethyl)-N-(3-cyclopentylpropyl)benzamide

4-(chloromethyl)-N-(3-cyclopentylpropyl)benzamide (PubChem CID 106009628) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(3-cyclopentylpropyl)benzamide.

Molecular Properties

Compound Name4-(chloromethyl)-N-(3-cyclopentylpropyl)benzamide
PubChem CID106009628
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC Name4-(chloromethyl)-N-(3-cyclopentylpropyl)benzamide
SMILESO=C(NCCCC1CCCC1)c1ccc(CCl)cc1
InChIInChI=1S/C16H22ClNO/c17-12-14-7-9-15(10-8-14)16(19)18-11-3-6-13-4-1-2-5-13/h7-10,13H,1-6,11-12H2,(H,18,19)
InChIKeyOUIQLPMJQGEKKF-UHFFFAOYSA-N
XLogP4.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyclopentylpropyl)-4-iodobenzamide
CID 106012290
N-(3-cyclopentylpropyl)-4-(propylamino)benzamide
CID 106015559
6-amino-N-(3-cyclopentylpropyl)pyridine-3-carboxamide
CID 114137460
3,5-dibromo-N-(3-cyclopentylpropyl)benzamide
CID 106012306
N-(3-cyclopentylpropyl)-3,4-dimethoxybenzamide
CID 38335556
4-amino-N-(3-cyclopentylpropyl)-3-fluorobenzamide
CID 106006332
N-(2-cyclopentylethyl)-4-iodobenzamide
CID 60732288
2-(4-aminophenyl)-N-(3-cyclopentylpropyl)acetamide
CID 103630550
5-(aminomethyl)-N-(3-cyclopentylpropyl)pyridine-2-carboxamide
CID 106016244
N-(3-cyclopentylpropyl)-4-imidazol-1-ylbenzamide
CID 38336531
4-bromo-N-(2-cyclohexylethyl)benzamide
CID 63524562
4-(chloromethyl)-N-hexylbenzamide
CID 43168029

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(3-cyclopentylpropyl)benzamide?
The IUPAC name of 4-(chloromethyl)-N-(3-cyclopentylpropyl)benzamide (CID 106009628) is 4-(chloromethyl)-N-(3-cyclopentylpropyl)benzamide.
What is the SMILES notation for 4-(chloromethyl)-N-(3-cyclopentylpropyl)benzamide?
The canonical SMILES for 4-(chloromethyl)-N-(3-cyclopentylpropyl)benzamide is O=C(NCCCC1CCCC1)c1ccc(CCl)cc1.
What is the InChIKey of 4-(chloromethyl)-N-(3-cyclopentylpropyl)benzamide?
The InChIKey is OUIQLPMJQGEKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c17-12-14-7-9-15(10-8-14)16(19)18-11-3-6-13-4-1-2-5-13/h7-10,13H,1-6,11-12H2,(H,18,19).
What are the key properties of 4-(chloromethyl)-N-(3-cyclopentylpropyl)benzamide?
4-(chloromethyl)-N-(3-cyclopentylpropyl)benzamide has a molecular weight of 279.81 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-(3-cyclopentylpropyl)benzamide is sourced from PubChem (CID 106009628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).