N-(5-chloro-4-methylpentyl)-3-propoxybenzamide

C16H24ClNO2 — CID 106157174

IUPACN-(5-chloro-4-methylpentyl)-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NCCCC(C)CCl)c1
InChIInChI=1S/C16H24ClNO2/c1-3-10-20-15-8-4-7-14(11-15)16(19)18-9-5-6-13(2)12-17/h4,7-8,11,13H,3,5-6,9-10,12H2,1-2H3,(H,18,19)
InChIKeyDSZPZNRPEVTPIO-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.86
Rot. Bonds9

About N-(5-chloro-4-methylpentyl)-3-propoxybenzamide

N-(5-chloro-4-methylpentyl)-3-propoxybenzamide (PubChem CID 106157174) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is N-(5-chloro-4-methylpentyl)-3-propoxybenzamide.

Molecular Properties

Compound NameN-(5-chloro-4-methylpentyl)-3-propoxybenzamide
PubChem CID106157174
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC NameN-(5-chloro-4-methylpentyl)-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NCCCC(C)CCl)c1
InChIInChI=1S/C16H24ClNO2/c1-3-10-20-15-8-4-7-14(11-15)16(19)18-9-5-6-13(2)12-17/h4,7-8,11,13H,3,5-6,9-10,12H2,1-2H3,(H,18,19)
InChIKeyDSZPZNRPEVTPIO-UHFFFAOYSA-N
XLogP3.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

3-propoxy-N-[3-[(3-propoxybenzoyl)amino]propyl]benzamide
CID 4960565
N-(3-chlorobutyl)-3-propoxybenzamide
CID 114301736
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
N-(3-cyanopropyl)-3-propoxybenzamide
CID 62920708
3-bromo-N-(5-chloro-4-methylpentyl)benzamide
CID 106157091
N-[2-(ethylamino)ethyl]-3-propoxybenzamide
CID 62919691
N-(3-amino-2-methylpropyl)-3-propoxybenzamide;hydrochloride
CID 119997780
N-[2-[(3-propoxybenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 2988749
3-ethoxy-N-[3-[(3-ethoxybenzoyl)amino]propyl]benzamide
CID 4958099
N-(2-chloro-4-methylpentyl)-3-propoxybenzamide
CID 107157243
N-[4-(3-methoxypropylcarbamoyl)phenyl]-3-propoxybenzamide
CID 17205121
N-pent-3-ynyl-3-propoxybenzamide
CID 115977193

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-methylpentyl)-3-propoxybenzamide?
The IUPAC name of N-(5-chloro-4-methylpentyl)-3-propoxybenzamide (CID 106157174) is N-(5-chloro-4-methylpentyl)-3-propoxybenzamide.
What is the SMILES notation for N-(5-chloro-4-methylpentyl)-3-propoxybenzamide?
The canonical SMILES for N-(5-chloro-4-methylpentyl)-3-propoxybenzamide is CCCOc1cccc(C(=O)NCCCC(C)CCl)c1.
What is the InChIKey of N-(5-chloro-4-methylpentyl)-3-propoxybenzamide?
The InChIKey is DSZPZNRPEVTPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-3-10-20-15-8-4-7-14(11-15)16(19)18-9-5-6-13(2)12-17/h4,7-8,11,13H,3,5-6,9-10,12H2,1-2H3,(H,18,19).
What are the key properties of N-(5-chloro-4-methylpentyl)-3-propoxybenzamide?
N-(5-chloro-4-methylpentyl)-3-propoxybenzamide has a molecular weight of 297.83 g/mol, XLogP of 3.86, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-methylpentyl)-3-propoxybenzamide is sourced from PubChem (CID 106157174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).