2-bromo-N-[[4-(chloromethyl)phenyl]methyl]-5-methoxybenzamide

C16H15BrClNO2 — CID 107233398

IUPAC2-bromo-N-[[4-(chloromethyl)phenyl]methyl]-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)NCc2ccc(CCl)cc2)c1
InChIInChI=1S/C16H15BrClNO2/c1-21-13-6-7-15(17)14(8-13)16(20)19-10-12-4-2-11(9-18)3-5-12/h2-8H,9-10H2,1H3,(H,19,20)
InChIKeyQIJJXKAYOAXICH-UHFFFAOYSA-N
MW368.66 g/mol
LogP4.13
Rot. Bonds5

About 2-bromo-N-[[4-(chloromethyl)phenyl]methyl]-5-methoxybenzamide

2-bromo-N-[[4-(chloromethyl)phenyl]methyl]-5-methoxybenzamide (PubChem CID 107233398) has the molecular formula C16H15BrClNO2 and a molecular weight of 368.66 g/mol. Its IUPAC name is 2-bromo-N-[[4-(chloromethyl)phenyl]methyl]-5-methoxybenzamide.

Molecular Properties

Compound Name2-bromo-N-[[4-(chloromethyl)phenyl]methyl]-5-methoxybenzamide
PubChem CID107233398
Molecular FormulaC16H15BrClNO2
Molecular Weight368.66 g/mol
Exact Mass367.00
IUPAC Name2-bromo-N-[[4-(chloromethyl)phenyl]methyl]-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)NCc2ccc(CCl)cc2)c1
InChIInChI=1S/C16H15BrClNO2/c1-21-13-6-7-15(17)14(8-13)16(20)19-10-12-4-2-11(9-18)3-5-12/h2-8H,9-10H2,1H3,(H,19,20)
InChIKeyQIJJXKAYOAXICH-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
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

2-bromo-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxybenzamide
CID 27887990
2-bromo-5-methoxy-N-[(4-phenylmethoxyphenyl)methyl]benzamide
CID 46590406
2-bromo-N-[(4-methoxyphenyl)methyl]-5-sulfanylbenzamide
CID 107020380
2-bromo-N-(4-chlorobutyl)-5-methoxybenzamide
CID 106845438
2-bromo-5-methoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 17473474
2-bromo-N-(furan-3-ylmethyl)-5-methoxybenzamide
CID 47204815
2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide
CID 43600621
2-bromo-N-[2-(4-chlorophenyl)ethyl]-5-methoxybenzamide
CID 27646500
2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429716
2-bromo-N-(6-bromohexyl)-5-methoxybenzamide
CID 107847455
2-bromo-N-(4-chloropentyl)-5-methoxybenzamide
CID 114147401
2-chloro-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 110763493

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[[4-(chloromethyl)phenyl]methyl]-5-methoxybenzamide?
The IUPAC name of 2-bromo-N-[[4-(chloromethyl)phenyl]methyl]-5-methoxybenzamide (CID 107233398) is 2-bromo-N-[[4-(chloromethyl)phenyl]methyl]-5-methoxybenzamide.
What is the SMILES notation for 2-bromo-N-[[4-(chloromethyl)phenyl]methyl]-5-methoxybenzamide?
The canonical SMILES for 2-bromo-N-[[4-(chloromethyl)phenyl]methyl]-5-methoxybenzamide is COc1ccc(Br)c(C(=O)NCc2ccc(CCl)cc2)c1.
What is the InChIKey of 2-bromo-N-[[4-(chloromethyl)phenyl]methyl]-5-methoxybenzamide?
The InChIKey is QIJJXKAYOAXICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO2/c1-21-13-6-7-15(17)14(8-13)16(20)19-10-12-4-2-11(9-18)3-5-12/h2-8H,9-10H2,1H3,(H,19,20).
What are the key properties of 2-bromo-N-[[4-(chloromethyl)phenyl]methyl]-5-methoxybenzamide?
2-bromo-N-[[4-(chloromethyl)phenyl]methyl]-5-methoxybenzamide has a molecular weight of 368.66 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[[4-(chloromethyl)phenyl]methyl]-5-methoxybenzamide is sourced from PubChem (CID 107233398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).