4-(chloromethyl)-N-(2-propan-2-yloxyethyl)benzamide

C13H18ClNO2 — CID 104759817

IUPAC4-(chloromethyl)-N-(2-propan-2-yloxyethyl)benzamide
SMILESCC(C)OCCNC(=O)c1ccc(CCl)cc1
InChIInChI=1S/C13H18ClNO2/c1-10(2)17-8-7-15-13(16)12-5-3-11(9-14)4-6-12/h3-6,10H,7-9H2,1-2H3,(H,15,16)
InChIKeyGNESEWPHOMNEGZ-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.58
Rot. Bonds6

About 4-(chloromethyl)-N-(2-propan-2-yloxyethyl)benzamide

4-(chloromethyl)-N-(2-propan-2-yloxyethyl)benzamide (PubChem CID 104759817) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(2-propan-2-yloxyethyl)benzamide.

Molecular Properties

Compound Name4-(chloromethyl)-N-(2-propan-2-yloxyethyl)benzamide
PubChem CID104759817
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Name4-(chloromethyl)-N-(2-propan-2-yloxyethyl)benzamide
SMILESCC(C)OCCNC(=O)c1ccc(CCl)cc1
InChIInChI=1S/C13H18ClNO2/c1-10(2)17-8-7-15-13(16)12-5-3-11(9-14)4-6-12/h3-6,10H,7-9H2,1-2H3,(H,15,16)
InChIKeyGNESEWPHOMNEGZ-UHFFFAOYSA-N
XLogP2.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.58
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

3,4-dichloro-N-(2-propan-2-yloxyethyl)benzamide
CID 110418217
4-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 58973544
4-(chloromethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 61251180
3-[[4-(chloromethyl)benzoyl]amino]propyl acetate
CID 135152215
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-propan-2-yloxypropyl)benzamide
CID 49014961
3,4,5-trifluoro-N-(2-propan-2-yloxyethyl)benzamide
CID 104578530
4-(chloromethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
CID 63827528
4-chloro-N-[3-oxo-3-(3-propan-2-yloxypropylamino)propyl]benzamide
CID 30877404
4-(chloromethyl)-N-hexylbenzamide
CID 43168029
4-bromo-3-methyl-N-(2-propan-2-yloxyethyl)benzamide
CID 104578560
4-phenoxy-N-(3-propan-2-yloxypropyl)benzamide
CID 4825822
4-(2-methylpropanoylamino)-N-(3-propan-2-yloxypropyl)benzamide
CID 7376221

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(2-propan-2-yloxyethyl)benzamide?
The IUPAC name of 4-(chloromethyl)-N-(2-propan-2-yloxyethyl)benzamide (CID 104759817) is 4-(chloromethyl)-N-(2-propan-2-yloxyethyl)benzamide.
What is the SMILES notation for 4-(chloromethyl)-N-(2-propan-2-yloxyethyl)benzamide?
The canonical SMILES for 4-(chloromethyl)-N-(2-propan-2-yloxyethyl)benzamide is CC(C)OCCNC(=O)c1ccc(CCl)cc1.
What is the InChIKey of 4-(chloromethyl)-N-(2-propan-2-yloxyethyl)benzamide?
The InChIKey is GNESEWPHOMNEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-10(2)17-8-7-15-13(16)12-5-3-11(9-14)4-6-12/h3-6,10H,7-9H2,1-2H3,(H,15,16).
What are the key properties of 4-(chloromethyl)-N-(2-propan-2-yloxyethyl)benzamide?
4-(chloromethyl)-N-(2-propan-2-yloxyethyl)benzamide has a molecular weight of 255.75 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-(2-propan-2-yloxyethyl)benzamide is sourced from PubChem (CID 104759817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).