2,4-dichloro-5-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide

C13H16Cl2FNO2 — CID 107202624

IUPAC2,4-dichloro-5-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide
SMILESCN(CCCCCO)C(=O)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C13H16Cl2FNO2/c1-17(5-3-2-4-6-18)13(19)9-7-12(16)11(15)8-10(9)14/h7-8,18H,2-6H2,1H3
InChIKeyDYCSLTIWKIJZKB-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.37
Rot. Bonds6

About 2,4-dichloro-5-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide

2,4-dichloro-5-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide (PubChem CID 107202624) has the molecular formula C13H16Cl2FNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is 2,4-dichloro-5-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-5-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide
PubChem CID107202624
Molecular FormulaC13H16Cl2FNO2
Molecular Weight308.18 g/mol
Exact Mass307.05
IUPAC Name2,4-dichloro-5-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide
SMILESCN(CCCCCO)C(=O)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C13H16Cl2FNO2/c1-17(5-3-2-4-6-18)13(19)9-7-12(16)11(15)8-10(9)14/h7-8,18H,2-6H2,1H3
InChIKeyDYCSLTIWKIJZKB-UHFFFAOYSA-N
XLogP3.37
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-fluoro-N-(3-hydroxypropyl)-N,4-dimethylbenzamide
CID 117045026
N-(3-aminopropyl)-2-chloro-5-fluoro-N,4-dimethylbenzamide
CID 117045005
5-amino-2,4-difluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107197364
2-chloro-5-fluoro-N,4-dimethyl-N-[3-(methylamino)propyl]benzamide
CID 117045006
5-amino-2-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107197368
2,4,6-trifluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107202076
5-amino-2-fluoro-N-(5-hydroxypentyl)-N,3-dimethylbenzamide
CID 107197446
5-fluoro-2-hydroxy-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107200248
4-fluoro-N-(5-hydroxypentyl)-N,2-dimethylbenzamide
CID 107199071
2-chloro-N-(3-hydroxypropyl)-N-methyl-5-methylsulfanylbenzamide
CID 114230616
2,4-dichloro-5-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 113337578
5-chloro-N-(5-hydroxypentyl)-4-iodo-2-methoxy-N-methylbenzamide
CID 107202751

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide?
The IUPAC name of 2,4-dichloro-5-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide (CID 107202624) is 2,4-dichloro-5-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide.
What is the SMILES notation for 2,4-dichloro-5-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide?
The canonical SMILES for 2,4-dichloro-5-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide is CN(CCCCCO)C(=O)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide?
The InChIKey is DYCSLTIWKIJZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2FNO2/c1-17(5-3-2-4-6-18)13(19)9-7-12(16)11(15)8-10(9)14/h7-8,18H,2-6H2,1H3.
What are the key properties of 2,4-dichloro-5-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide?
2,4-dichloro-5-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide has a molecular weight of 308.18 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide is sourced from PubChem (CID 107202624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).