N-(4-chlorobutyl)-2-ethoxybenzamide

C13H18ClNO2 — CID 106845375

IUPACN-(4-chlorobutyl)-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCCCCCl
InChIInChI=1S/C13H18ClNO2/c1-2-17-12-8-4-3-7-11(12)13(16)15-10-6-5-9-14/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,15,16)
InChIKeyHQGKUZSJVBJLCL-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.83
Rot. Bonds7

About N-(4-chlorobutyl)-2-ethoxybenzamide

N-(4-chlorobutyl)-2-ethoxybenzamide (PubChem CID 106845375) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is N-(4-chlorobutyl)-2-ethoxybenzamide.

Molecular Properties

Compound NameN-(4-chlorobutyl)-2-ethoxybenzamide
PubChem CID106845375
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC NameN-(4-chlorobutyl)-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCCCCCl
InChIInChI=1S/C13H18ClNO2/c1-2-17-12-8-4-3-7-11(12)13(16)15-10-6-5-9-14/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,15,16)
InChIKeyHQGKUZSJVBJLCL-UHFFFAOYSA-N
XLogP2.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.83
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

2-ethoxy-N-(6-hydroxyhexyl)benzamide
CID 103919109
N-(4-chlorobutyl)-2-methoxybenzamide
CID 106845525
2-ethoxy-N-(2-hydroxyethyl)benzamide
CID 4088522
2-ethoxy-N-pent-4-ynylbenzamide
CID 103709030
2-ethoxy-N-[3-[4-[3-[(2-ethoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 2932757
2-butoxy-N-[8-[(2-butoxybenzoyl)amino]octyl]benzamide
CID 17233378
3-[(2-ethoxybenzoyl)amino]propanoic acid
CID 665917
2-ethoxy-N-(7-pyrrolidin-1-ylheptyl)benzamide
CID 47074532
2-ethoxy-N-[4-(3-hydroxypropylamino)-4-oxobutyl]benzamide
CID 78854842
2-ethoxy-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119508383
2-ethoxy-N-[2-(propylamino)ethyl]benzamide
CID 62658238
N-(3-aminobutyl)-2-ethoxybenzamide
CID 63253543

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorobutyl)-2-ethoxybenzamide?
The IUPAC name of N-(4-chlorobutyl)-2-ethoxybenzamide (CID 106845375) is N-(4-chlorobutyl)-2-ethoxybenzamide.
What is the SMILES notation for N-(4-chlorobutyl)-2-ethoxybenzamide?
The canonical SMILES for N-(4-chlorobutyl)-2-ethoxybenzamide is CCOc1ccccc1C(=O)NCCCCCl.
What is the InChIKey of N-(4-chlorobutyl)-2-ethoxybenzamide?
The InChIKey is HQGKUZSJVBJLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-2-17-12-8-4-3-7-11(12)13(16)15-10-6-5-9-14/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,15,16).
What are the key properties of N-(4-chlorobutyl)-2-ethoxybenzamide?
N-(4-chlorobutyl)-2-ethoxybenzamide has a molecular weight of 255.75 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorobutyl)-2-ethoxybenzamide is sourced from PubChem (CID 106845375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).