N-(3-chlorobutyl)-3-propoxybenzamide

C14H20ClNO2 — CID 114301736

IUPACN-(3-chlorobutyl)-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NCCC(C)Cl)c1
InChIInChI=1S/C14H20ClNO2/c1-3-9-18-13-6-4-5-12(10-13)14(17)16-8-7-11(2)15/h4-6,10-11H,3,7-9H2,1-2H3,(H,16,17)
InChIKeyRWAXLDBHXSPWLU-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.22
Rot. Bonds7

About N-(3-chlorobutyl)-3-propoxybenzamide

N-(3-chlorobutyl)-3-propoxybenzamide (PubChem CID 114301736) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is N-(3-chlorobutyl)-3-propoxybenzamide.

Molecular Properties

Compound NameN-(3-chlorobutyl)-3-propoxybenzamide
PubChem CID114301736
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC NameN-(3-chlorobutyl)-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NCCC(C)Cl)c1
InChIInChI=1S/C14H20ClNO2/c1-3-9-18-13-6-4-5-12(10-13)14(17)16-8-7-11(2)15/h4-6,10-11H,3,7-9H2,1-2H3,(H,16,17)
InChIKeyRWAXLDBHXSPWLU-UHFFFAOYSA-N
XLogP3.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-chlorobutyl)-3-propoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
3-propoxy-N-[3-[(3-propoxybenzoyl)amino]propyl]benzamide
CID 4960565
N-(5-chloro-4-methylpentyl)-3-propoxybenzamide
CID 106157174
N-[2-(ethylamino)ethyl]-3-propoxybenzamide
CID 62919691
N-(2-chloro-4-methylpentyl)-3-propoxybenzamide
CID 107157243
N-(3-cyanopropyl)-3-propoxybenzamide
CID 62920708
N-(3-amino-2-methylpropyl)-3-propoxybenzamide;hydrochloride
CID 119997780
N-[2-[(3-propoxybenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 2988749
N-(2-bromopentyl)-3-propoxybenzamide
CID 113496505
N-(3-aminobutyl)-3-(2-methoxyethoxy)benzamide;hydrochloride
CID 119494749
N-pent-3-ynyl-3-propoxybenzamide
CID 115977193
N-(4-chloropentyl)-3-propan-2-yloxybenzamide
CID 106130049

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorobutyl)-3-propoxybenzamide?
The IUPAC name of N-(3-chlorobutyl)-3-propoxybenzamide (CID 114301736) is N-(3-chlorobutyl)-3-propoxybenzamide.
What is the SMILES notation for N-(3-chlorobutyl)-3-propoxybenzamide?
The canonical SMILES for N-(3-chlorobutyl)-3-propoxybenzamide is CCCOc1cccc(C(=O)NCCC(C)Cl)c1.
What is the InChIKey of N-(3-chlorobutyl)-3-propoxybenzamide?
The InChIKey is RWAXLDBHXSPWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-3-9-18-13-6-4-5-12(10-13)14(17)16-8-7-11(2)15/h4-6,10-11H,3,7-9H2,1-2H3,(H,16,17).
What are the key properties of N-(3-chlorobutyl)-3-propoxybenzamide?
N-(3-chlorobutyl)-3-propoxybenzamide has a molecular weight of 269.77 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorobutyl)-3-propoxybenzamide is sourced from PubChem (CID 114301736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).