2,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide

C15H13Cl2NO2 — CID 779696

IUPAC2,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H13Cl2NO2/c1-20-12-5-2-10(3-6-12)9-18-15(19)13-7-4-11(16)8-14(13)17/h2-8H,9H2,1H3,(H,18,19)
InChIKeyPKXRGZHLZGSMRP-UHFFFAOYSA-N
MW310.18 g/mol
LogP3.93
Rot. Bonds4

About 2,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide

2,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide (PubChem CID 779696) has the molecular formula C15H13Cl2NO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is 2,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
PubChem CID779696
Molecular FormulaC15H13Cl2NO2
Molecular Weight310.18 g/mol
Exact Mass309.03
IUPAC Name2,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H13Cl2NO2/c1-20-12-5-2-10(3-6-12)9-18-15(19)13-7-4-11(16)8-14(13)17/h2-8H,9H2,1H3,(H,18,19)
InChIKeyPKXRGZHLZGSMRP-UHFFFAOYSA-N
XLogP3.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 110763493
5-chloro-N-[(4-methoxyphenyl)methyl]-2-(methylamino)benzamide
CID 62173121
2,4-dichloro-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
CID 15137000
2-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 110763497
N-[(3-amino-4-methoxyphenyl)methyl]-2,4-dichlorobenzamide
CID 60972237
[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2,4-dichlorobenzoate
CID 7508278
N-[[4-(2-aminoethyl)phenyl]methyl]-2,4-dichlorobenzamide
CID 62502829
5-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 51057984
5-chloro-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide
CID 113205803
2,4-dichloro-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]benzamide
CID 17499196
4-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 47449992
2,4-dichloro-N-[(4-nitrophenyl)methyl]benzamide
CID 51289387

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide (CID 779696) is 2,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide is COc1ccc(CNC(=O)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide?
The InChIKey is PKXRGZHLZGSMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2/c1-20-12-5-2-10(3-6-12)9-18-15(19)13-7-4-11(16)8-14(13)17/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 2,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide?
2,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide has a molecular weight of 310.18 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 779696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).