N-[3-(bromomethyl)-4-ethoxyphenyl]-4-chlorobenzamide

C16H15BrClNO2 — CID 114313641

IUPACN-[3-(bromomethyl)-4-ethoxyphenyl]-4-chlorobenzamide
SMILESCCOc1ccc(NC(=O)c2ccc(Cl)cc2)cc1CBr
InChIInChI=1S/C16H15BrClNO2/c1-2-21-15-8-7-14(9-12(15)10-17)19-16(20)11-3-5-13(18)6-4-11/h3-9H,2,10H2,1H3,(H,19,20)
InChIKeyNUIFPFYLAMFEMK-UHFFFAOYSA-N
MW368.66 g/mol
LogP4.89
Rot. Bonds5

About N-[3-(bromomethyl)-4-ethoxyphenyl]-4-chlorobenzamide

N-[3-(bromomethyl)-4-ethoxyphenyl]-4-chlorobenzamide (PubChem CID 114313641) has the molecular formula C16H15BrClNO2 and a molecular weight of 368.66 g/mol. Its IUPAC name is N-[3-(bromomethyl)-4-ethoxyphenyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[3-(bromomethyl)-4-ethoxyphenyl]-4-chlorobenzamide
PubChem CID114313641
Molecular FormulaC16H15BrClNO2
Molecular Weight368.66 g/mol
Exact Mass367.00
IUPAC NameN-[3-(bromomethyl)-4-ethoxyphenyl]-4-chlorobenzamide
SMILESCCOc1ccc(NC(=O)c2ccc(Cl)cc2)cc1CBr
InChIInChI=1S/C16H15BrClNO2/c1-2-21-15-8-7-14(9-12(15)10-17)19-16(20)11-3-5-13(18)6-4-11/h3-9H,2,10H2,1H3,(H,19,20)
InChIKeyNUIFPFYLAMFEMK-UHFFFAOYSA-N
XLogP4.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.66
LogP ≤ 54.89
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-(bromomethyl)-4-ethoxyphenyl]-2-methylpyridine-4-carboxamide
CID 106754238
3-chloro-N-(4-chlorophenyl)-4-ethoxybenzamide
CID 876518
N-[3-(bromomethyl)-4-ethoxyphenyl]-5-methylpyridine-3-carboxamide
CID 114313679
4-(bromomethyl)-N-(4-ethoxy-3-fluorophenyl)benzamide
CID 102852031
N-[3-(chloromethyl)-4-ethoxyphenyl]benzamide
CID 114302965
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-hydroxybenzamide
CID 61014959
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-methylbenzamide
CID 61013736
N-(3-chloro-4-fluorophenyl)-3,4-diethoxybenzamide
CID 3371739
N-[3-(bromomethyl)-4-ethoxyphenyl]-3-methylthiophene-2-carboxamide
CID 114313610
2,5-dibromo-N-[3-(bromomethyl)-4-ethoxyphenyl]thiophene-3-carboxamide
CID 107966149
N-[4-ethoxy-3-(hydroxymethyl)phenyl]pyridine-4-carboxamide
CID 61015216
1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019

Frequently Asked Questions

What is the IUPAC name of N-[3-(bromomethyl)-4-ethoxyphenyl]-4-chlorobenzamide?
The IUPAC name of N-[3-(bromomethyl)-4-ethoxyphenyl]-4-chlorobenzamide (CID 114313641) is N-[3-(bromomethyl)-4-ethoxyphenyl]-4-chlorobenzamide.
What is the SMILES notation for N-[3-(bromomethyl)-4-ethoxyphenyl]-4-chlorobenzamide?
The canonical SMILES for N-[3-(bromomethyl)-4-ethoxyphenyl]-4-chlorobenzamide is CCOc1ccc(NC(=O)c2ccc(Cl)cc2)cc1CBr.
What is the InChIKey of N-[3-(bromomethyl)-4-ethoxyphenyl]-4-chlorobenzamide?
The InChIKey is NUIFPFYLAMFEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO2/c1-2-21-15-8-7-14(9-12(15)10-17)19-16(20)11-3-5-13(18)6-4-11/h3-9H,2,10H2,1H3,(H,19,20).
What are the key properties of N-[3-(bromomethyl)-4-ethoxyphenyl]-4-chlorobenzamide?
N-[3-(bromomethyl)-4-ethoxyphenyl]-4-chlorobenzamide has a molecular weight of 368.66 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(bromomethyl)-4-ethoxyphenyl]-4-chlorobenzamide is sourced from PubChem (CID 114313641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).