2,4-dichloro-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-fluorobenzamide

C17H17Cl2FN2O — CID 26953077

IUPAC2,4-dichloro-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-fluorobenzamide
SMILESCN(C)Cc1ccc(CNC(=O)c2cc(F)c(Cl)cc2Cl)cc1
InChIInChI=1S/C17H17Cl2FN2O/c1-22(2)10-12-5-3-11(4-6-12)9-21-17(23)13-7-16(20)15(19)8-14(13)18/h3-8H,9-10H2,1-2H3,(H,21,23)
InChIKeyHPUSDTMHPMBWMA-UHFFFAOYSA-N
MW355.24 g/mol
LogP4.12
Rot. Bonds5

About 2,4-dichloro-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-fluorobenzamide

2,4-dichloro-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-fluorobenzamide (PubChem CID 26953077) has the molecular formula C17H17Cl2FN2O and a molecular weight of 355.24 g/mol. Its IUPAC name is 2,4-dichloro-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-fluorobenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-fluorobenzamide
PubChem CID26953077
Molecular FormulaC17H17Cl2FN2O
Molecular Weight355.24 g/mol
Exact Mass354.07
IUPAC Name2,4-dichloro-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-fluorobenzamide
SMILESCN(C)Cc1ccc(CNC(=O)c2cc(F)c(Cl)cc2Cl)cc1
InChIInChI=1S/C17H17Cl2FN2O/c1-22(2)10-12-5-3-11(4-6-12)9-21-17(23)13-7-16(20)15(19)8-14(13)18/h3-8H,9-10H2,1-2H3,(H,21,23)
InChIKeyHPUSDTMHPMBWMA-UHFFFAOYSA-N
XLogP4.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.24
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-5-fluoro-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 114182114
methyl 4-[[(2-chloro-4,5-difluorobenzoyl)amino]methyl]benzoate
CID 4810749
2,4-dichloro-N-ethyl-5-fluorobenzamide
CID 60664980
2,4-dichloro-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-fluorobenzamide
CID 42919391
methyl 4-[[(2,4-dichloro-5-fluorobenzoyl)-methylamino]methyl]benzoate
CID 37415657
2,4-dichloro-N-(4-ethylphenyl)-5-fluorobenzamide
CID 27667437
3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-4-carboxamide
CID 66484344
2,4-dichloro-5-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102914643
5-[[(2-chloro-4,5-difluorobenzoyl)amino]methyl]-2-methoxybenzoic acid
CID 45384785
2-chloro-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-5-methylsulfanylbenzamide
CID 24661064
2,4-dichloro-5-fluoro-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide
CID 55742565
2,4-dichloro-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
CID 15137000

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-fluorobenzamide?
The IUPAC name of 2,4-dichloro-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-fluorobenzamide (CID 26953077) is 2,4-dichloro-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-fluorobenzamide.
What is the SMILES notation for 2,4-dichloro-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-fluorobenzamide?
The canonical SMILES for 2,4-dichloro-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-fluorobenzamide is CN(C)Cc1ccc(CNC(=O)c2cc(F)c(Cl)cc2Cl)cc1.
What is the InChIKey of 2,4-dichloro-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-fluorobenzamide?
The InChIKey is HPUSDTMHPMBWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2FN2O/c1-22(2)10-12-5-3-11(4-6-12)9-21-17(23)13-7-16(20)15(19)8-14(13)18/h3-8H,9-10H2,1-2H3,(H,21,23).
What are the key properties of 2,4-dichloro-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-fluorobenzamide?
2,4-dichloro-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-fluorobenzamide has a molecular weight of 355.24 g/mol, XLogP of 4.12, 5 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-[(dimethylamino)methyl]phenyl]methyl]-5-fluorobenzamide is sourced from PubChem (CID 26953077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).