4-(chloromethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide

C12H16ClNO3 — CID 61251180

IUPAC4-(chloromethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide
SMILESO=C(NCCOCCO)c1ccc(CCl)cc1
InChIInChI=1S/C12H16ClNO3/c13-9-10-1-3-11(4-2-10)12(16)14-5-7-17-8-6-15/h1-4,15H,5-9H2,(H,14,16)
InChIKeyLDRAMUDDPIMXRQ-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.16
Rot. Bonds7

About 4-(chloromethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide

4-(chloromethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide (PubChem CID 61251180) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 4-(chloromethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide.

Molecular Properties

Compound Name4-(chloromethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide
PubChem CID61251180
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC Name4-(chloromethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide
SMILESO=C(NCCOCCO)c1ccc(CCl)cc1
InChIInChI=1S/C12H16ClNO3/c13-9-10-1-3-11(4-2-10)12(16)14-5-7-17-8-6-15/h1-4,15H,5-9H2,(H,14,16)
InChIKeyLDRAMUDDPIMXRQ-UHFFFAOYSA-N
XLogP1.16
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.16
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-(chloromethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
CID 63827528
4-(cyanomethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 82178807
N-[2-(2-hydroxyethoxy)ethyl]-4-(methylsulfonylmethyl)benzamide
CID 60742768
4-(chloromethyl)-N-(2-propan-2-yloxyethyl)benzamide
CID 104759817
4-butoxy-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 60654687
3-[[4-(chloromethyl)benzoyl]amino]propyl acetate
CID 135152215
4-[3-[3-(2-aminoacetyl)phenyl]-3-oxopropyl]-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 160826418
3-bromo-N-[2-(2-hydroxyethoxy)ethyl]-4-methylbenzamide
CID 81471797
4-(chloromethyl)-N-hexylbenzamide
CID 43168029
N-[2-[2-(2-chloroethoxy)ethoxy]ethyl]benzamide
CID 126723293
N-[2-(2-hydroxyethoxy)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 55024103
4-(chloromethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107230293

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide?
The IUPAC name of 4-(chloromethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide (CID 61251180) is 4-(chloromethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide.
What is the SMILES notation for 4-(chloromethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide?
The canonical SMILES for 4-(chloromethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide is O=C(NCCOCCO)c1ccc(CCl)cc1.
What is the InChIKey of 4-(chloromethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide?
The InChIKey is LDRAMUDDPIMXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3/c13-9-10-1-3-11(4-2-10)12(16)14-5-7-17-8-6-15/h1-4,15H,5-9H2,(H,14,16).
What are the key properties of 4-(chloromethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide?
4-(chloromethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide has a molecular weight of 257.72 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide is sourced from PubChem (CID 61251180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).