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

C16H16ClNO2 — CID 60933770

IUPAC4-(chloromethyl)-N-(3-ethoxyphenyl)benzamide
SMILESCCOc1cccc(NC(=O)c2ccc(CCl)cc2)c1
InChIInChI=1S/C16H16ClNO2/c1-2-20-15-5-3-4-14(10-15)18-16(19)13-8-6-12(11-17)7-9-13/h3-10H,2,11H2,1H3,(H,18,19)
InChIKeyUTECNVLSMLOETM-UHFFFAOYSA-N
MW289.76 g/mol
LogP4.08
Rot. Bonds5

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

4-(chloromethyl)-N-(3-ethoxyphenyl)benzamide (PubChem CID 60933770) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(3-ethoxyphenyl)benzamide.

Molecular Properties

Compound Name4-(chloromethyl)-N-(3-ethoxyphenyl)benzamide
PubChem CID60933770
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name4-(chloromethyl)-N-(3-ethoxyphenyl)benzamide
SMILESCCOc1cccc(NC(=O)c2ccc(CCl)cc2)c1
InChIInChI=1S/C16H16ClNO2/c1-2-20-15-5-3-4-14(10-15)18-16(19)13-8-6-12(11-17)7-9-13/h3-10H,2,11H2,1H3,(H,18,19)
InChIKeyUTECNVLSMLOETM-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

4-(chloromethyl)-N-[3-(cyanomethoxy)phenyl]benzamide
CID 43699575
N-(3-ethoxyphenyl)-4-phenylbenzamide
CID 849227
4-carbamothioyl-N-(3-ethoxyphenyl)benzamide
CID 61242679
3-amino-4-chloro-N-(3-ethoxyphenyl)benzamide
CID 60926921
4-ethoxy-N-[3-(3-methylbutoxy)phenyl]benzamide
CID 17097294
3-ethoxy-N-(3-propoxyphenyl)benzamide
CID 17096771
N-[3-(2-aminoethoxy)phenyl]-4-ethylbenzamide
CID 43369477
N-(3-ethoxyphenyl)-3-hydroxy-4-iodobenzamide
CID 104627784
6-bromo-N-(3-ethoxyphenyl)pyridine-3-carboxamide
CID 66463087
3-butoxy-N-(3-ethoxyphenyl)benzamide
CID 17098184
N-(3-ethoxyphenyl)-3-methyl-4-(methylamino)benzamide
CID 63213981
1-N,4-N-bis(3-hexoxyphenyl)benzene-1,4-dicarboxamide
CID 17094971

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(3-ethoxyphenyl)benzamide?
The IUPAC name of 4-(chloromethyl)-N-(3-ethoxyphenyl)benzamide (CID 60933770) is 4-(chloromethyl)-N-(3-ethoxyphenyl)benzamide.
What is the SMILES notation for 4-(chloromethyl)-N-(3-ethoxyphenyl)benzamide?
The canonical SMILES for 4-(chloromethyl)-N-(3-ethoxyphenyl)benzamide is CCOc1cccc(NC(=O)c2ccc(CCl)cc2)c1.
What is the InChIKey of 4-(chloromethyl)-N-(3-ethoxyphenyl)benzamide?
The InChIKey is UTECNVLSMLOETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-2-20-15-5-3-4-14(10-15)18-16(19)13-8-6-12(11-17)7-9-13/h3-10H,2,11H2,1H3,(H,18,19).
What are the key properties of 4-(chloromethyl)-N-(3-ethoxyphenyl)benzamide?
4-(chloromethyl)-N-(3-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 4-(chloromethyl)-N-(3-ethoxyphenyl)benzamide is sourced from PubChem (CID 60933770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).