5-chloro-N-[[3-(chloromethyl)phenyl]methyl]-2-methoxybenzamide

C16H15Cl2NO2 — CID 114302427

IUPAC5-chloro-N-[[3-(chloromethyl)phenyl]methyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCc1cccc(CCl)c1
InChIInChI=1S/C16H15Cl2NO2/c1-21-15-6-5-13(18)8-14(15)16(20)19-10-12-4-2-3-11(7-12)9-17/h2-8H,9-10H2,1H3,(H,19,20)
InChIKeyQUVVOCLUQPDTOG-UHFFFAOYSA-N
MW324.21 g/mol
LogP4.02
Rot. Bonds5

About 5-chloro-N-[[3-(chloromethyl)phenyl]methyl]-2-methoxybenzamide

5-chloro-N-[[3-(chloromethyl)phenyl]methyl]-2-methoxybenzamide (PubChem CID 114302427) has the molecular formula C16H15Cl2NO2 and a molecular weight of 324.21 g/mol. Its IUPAC name is 5-chloro-N-[[3-(chloromethyl)phenyl]methyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[[3-(chloromethyl)phenyl]methyl]-2-methoxybenzamide
PubChem CID114302427
Molecular FormulaC16H15Cl2NO2
Molecular Weight324.21 g/mol
Exact Mass323.05
IUPAC Name5-chloro-N-[[3-(chloromethyl)phenyl]methyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCc1cccc(CCl)c1
InChIInChI=1S/C16H15Cl2NO2/c1-21-15-6-5-13(18)8-14(15)16(20)19-10-12-4-2-3-11(7-12)9-17/h2-8H,9-10H2,1H3,(H,19,20)
InChIKeyQUVVOCLUQPDTOG-UHFFFAOYSA-N
XLogP4.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 54.02
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

5-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide
CID 63311043
1-N,3-N-bis[(3-chlorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide
CID 71608078
5-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 2671578
4-chloro-N-[(3-chlorophenyl)methyl]-2-methoxybenzamide
CID 47449773
5-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 71822169
5-chloro-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2-methoxybenzamide
CID 55894052
N-[(3-aminophenyl)methyl]-4-chloro-2-methoxybenzamide
CID 62500246
5-chloro-2-fluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 9088202
5-chloro-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 110761198
5-chloro-2-(2-chloroethoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 142875477
N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]naphthalene-1-carboxamide
CID 108540845
5-chloro-2-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 887260

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[3-(chloromethyl)phenyl]methyl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[[3-(chloromethyl)phenyl]methyl]-2-methoxybenzamide (CID 114302427) is 5-chloro-N-[[3-(chloromethyl)phenyl]methyl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[[3-(chloromethyl)phenyl]methyl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[[3-(chloromethyl)phenyl]methyl]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NCc1cccc(CCl)c1.
What is the InChIKey of 5-chloro-N-[[3-(chloromethyl)phenyl]methyl]-2-methoxybenzamide?
The InChIKey is QUVVOCLUQPDTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO2/c1-21-15-6-5-13(18)8-14(15)16(20)19-10-12-4-2-3-11(7-12)9-17/h2-8H,9-10H2,1H3,(H,19,20).
What are the key properties of 5-chloro-N-[[3-(chloromethyl)phenyl]methyl]-2-methoxybenzamide?
5-chloro-N-[[3-(chloromethyl)phenyl]methyl]-2-methoxybenzamide has a molecular weight of 324.21 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[3-(chloromethyl)phenyl]methyl]-2-methoxybenzamide is sourced from PubChem (CID 114302427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).