N-[3-(chloromethyl)-4-ethoxyphenyl]benzamide

C16H16ClNO2 — CID 114302965

IUPACN-[3-(chloromethyl)-4-ethoxyphenyl]benzamide
SMILESCCOc1ccc(NC(=O)c2ccccc2)cc1CCl
InChIInChI=1S/C16H16ClNO2/c1-2-20-15-9-8-14(10-13(15)11-17)18-16(19)12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,18,19)
InChIKeyFBLYHRPXLLTTOJ-UHFFFAOYSA-N
MW289.76 g/mol
LogP4.08
Rot. Bonds5

About N-[3-(chloromethyl)-4-ethoxyphenyl]benzamide

N-[3-(chloromethyl)-4-ethoxyphenyl]benzamide (PubChem CID 114302965) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is N-[3-(chloromethyl)-4-ethoxyphenyl]benzamide.

Molecular Properties

Compound NameN-[3-(chloromethyl)-4-ethoxyphenyl]benzamide
PubChem CID114302965
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC NameN-[3-(chloromethyl)-4-ethoxyphenyl]benzamide
SMILESCCOc1ccc(NC(=O)c2ccccc2)cc1CCl
InChIInChI=1S/C16H16ClNO2/c1-2-20-15-9-8-14(10-13(15)11-17)18-16(19)12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,18,19)
InChIKeyFBLYHRPXLLTTOJ-UHFFFAOYSA-N
XLogP4.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(chloromethyl)-4-ethoxyphenyl]thiophene-3-carboxamide
CID 114302940
N-[3-(chloromethyl)-4-ethoxyphenyl]pyridazine-4-carboxamide
CID 104672631
N-[3-(chloromethyl)-4-ethoxyphenyl]-2-methylpropanamide
CID 114302916
5-chloro-N-[3-(chloromethyl)-4-ethoxyphenyl]furan-2-carboxamide
CID 106690004
N-[3-(bromomethyl)-4-ethoxyphenyl]-4-chlorobenzamide
CID 114313641
N-[3-(chloromethyl)-4-ethoxyphenyl]-3-methylfuran-2-carboxamide
CID 114302970
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-methylbenzamide
CID 61013736
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-hydroxybenzamide
CID 61014959
N-[3-(chloromethyl)-4-ethoxyphenyl]cyclopropanecarboxamide
CID 114302888
tert-butyl N-[3-(chloromethyl)-4-ethoxyphenyl]carbamate
CID 114302920
N-(4-benzamidophenyl)-3-bromo-4-ethoxybenzamide
CID 1095399
N-[4-ethoxy-3-(hydroxymethyl)phenyl]pyridine-4-carboxamide
CID 61015216

Frequently Asked Questions

What is the IUPAC name of N-[3-(chloromethyl)-4-ethoxyphenyl]benzamide?
The IUPAC name of N-[3-(chloromethyl)-4-ethoxyphenyl]benzamide (CID 114302965) is N-[3-(chloromethyl)-4-ethoxyphenyl]benzamide.
What is the SMILES notation for N-[3-(chloromethyl)-4-ethoxyphenyl]benzamide?
The canonical SMILES for N-[3-(chloromethyl)-4-ethoxyphenyl]benzamide is CCOc1ccc(NC(=O)c2ccccc2)cc1CCl.
What is the InChIKey of N-[3-(chloromethyl)-4-ethoxyphenyl]benzamide?
The InChIKey is FBLYHRPXLLTTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-2-20-15-9-8-14(10-13(15)11-17)18-16(19)12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,18,19).
What are the key properties of N-[3-(chloromethyl)-4-ethoxyphenyl]benzamide?
N-[3-(chloromethyl)-4-ethoxyphenyl]benzamide has a molecular weight of 289.76 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(chloromethyl)-4-ethoxyphenyl]benzamide is sourced from PubChem (CID 114302965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).