N-[2-(4-chlorobutanoylamino)ethyl]-4-methoxybenzamide

C14H19ClN2O3 — CID 108570637

IUPACN-[2-(4-chlorobutanoylamino)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCNC(=O)CCCCl)cc1
InChIInChI=1S/C14H19ClN2O3/c1-20-12-6-4-11(5-7-12)14(19)17-10-9-16-13(18)3-2-8-15/h4-7H,2-3,8-10H2,1H3,(H,16,18)(H,17,19)
InChIKeyMARRNUILHSNGLB-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.56
Rot. Bonds8

About N-[2-(4-chlorobutanoylamino)ethyl]-4-methoxybenzamide

N-[2-(4-chlorobutanoylamino)ethyl]-4-methoxybenzamide (PubChem CID 108570637) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is N-[2-(4-chlorobutanoylamino)ethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-chlorobutanoylamino)ethyl]-4-methoxybenzamide
PubChem CID108570637
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC NameN-[2-(4-chlorobutanoylamino)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCNC(=O)CCCCl)cc1
InChIInChI=1S/C14H19ClN2O3/c1-20-12-6-4-11(5-7-12)14(19)17-10-9-16-13(18)3-2-8-15/h4-7H,2-3,8-10H2,1H3,(H,16,18)(H,17,19)
InChIKeyMARRNUILHSNGLB-UHFFFAOYSA-N
XLogP1.56
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-chloro-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 3613637
N-[2-(4-chlorobutanoylamino)ethyl]-4-(dimethylamino)benzamide
CID 108574903
N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]ethyl]-4-methoxybenzamide
CID 55878941
N-[2-(5-chloropentanoylamino)ethyl]-4-methylbenzamide
CID 60966598
4-chloro-N-[4-[2-(4-methoxyphenyl)ethylamino]-4-oxobutyl]benzamide
CID 17432466
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
CID 108537787
N-(2-acetamidoethyl)-4-methoxybenzamide
CID 30596623
N-[2-[(2-cyanoacetyl)amino]ethyl]-4-methoxybenzamide
CID 108537249
N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]-4-methoxybenzamide
CID 108537858
4-methoxy-N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]benzamide
CID 108537866
4-methoxy-N-[(E)-pent-3-enyl]benzamide
CID 115628167
N-[(Z)-5-chloropent-1-enyl]-4-methoxybenzamide
CID 132547490

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorobutanoylamino)ethyl]-4-methoxybenzamide?
The IUPAC name of N-[2-(4-chlorobutanoylamino)ethyl]-4-methoxybenzamide (CID 108570637) is N-[2-(4-chlorobutanoylamino)ethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-(4-chlorobutanoylamino)ethyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-(4-chlorobutanoylamino)ethyl]-4-methoxybenzamide is COc1ccc(C(=O)NCCNC(=O)CCCCl)cc1.
What is the InChIKey of N-[2-(4-chlorobutanoylamino)ethyl]-4-methoxybenzamide?
The InChIKey is MARRNUILHSNGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-20-12-6-4-11(5-7-12)14(19)17-10-9-16-13(18)3-2-8-15/h4-7H,2-3,8-10H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-[2-(4-chlorobutanoylamino)ethyl]-4-methoxybenzamide?
N-[2-(4-chlorobutanoylamino)ethyl]-4-methoxybenzamide has a molecular weight of 298.77 g/mol, XLogP of 1.56, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorobutanoylamino)ethyl]-4-methoxybenzamide is sourced from PubChem (CID 108570637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).