N-[2-[2-(4-chlorophenoxy)propanoylamino]ethyl]-2,4-difluorobenzamide

C18H17ClF2N2O3 — CID 108572727

IUPACN-[2-[2-(4-chlorophenoxy)propanoylamino]ethyl]-2,4-difluorobenzamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)NCCNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C18H17ClF2N2O3/c1-11(26-14-5-2-12(19)3-6-14)17(24)22-8-9-23-18(25)15-7-4-13(20)10-16(15)21/h2-7,10-11H,8-9H2,1H3,(H,22,24)(H,23,25)
InChIKeyQDUULMCHCKLOBE-UHFFFAOYSA-N
MW382.79 g/mol
LogP2.93
Rot. Bonds7

About N-[2-[2-(4-chlorophenoxy)propanoylamino]ethyl]-2,4-difluorobenzamide

N-[2-[2-(4-chlorophenoxy)propanoylamino]ethyl]-2,4-difluorobenzamide (PubChem CID 108572727) has the molecular formula C18H17ClF2N2O3 and a molecular weight of 382.79 g/mol. Its IUPAC name is N-[2-[2-(4-chlorophenoxy)propanoylamino]ethyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-[2-(4-chlorophenoxy)propanoylamino]ethyl]-2,4-difluorobenzamide
PubChem CID108572727
Molecular FormulaC18H17ClF2N2O3
Molecular Weight382.79 g/mol
Exact Mass382.09
IUPAC NameN-[2-[2-(4-chlorophenoxy)propanoylamino]ethyl]-2,4-difluorobenzamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)NCCNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C18H17ClF2N2O3/c1-11(26-14-5-2-12(19)3-6-14)17(24)22-8-9-23-18(25)15-7-4-13(20)10-16(15)21/h2-7,10-11H,8-9H2,1H3,(H,22,24)(H,23,25)
InChIKeyQDUULMCHCKLOBE-UHFFFAOYSA-N
XLogP2.93
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.79
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3,4-trifluoro-N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]benzamide
CID 108541583
2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)propanoylamino]propyl]propanamide
CID 4944309
2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]propanamide
CID 108572718
4-chloro-N-[2-[2-(4-methylphenoxy)propanoylamino]ethyl]benzamide
CID 134039933
2-(4-chlorophenoxy)-N-[2-(propanoylamino)ethyl]propanamide
CID 108541480
1-(2,4-difluorophenyl)-2-(4-fluorophenoxy)propan-1-one
CID 43232352
2-[2-[(2,4-difluorobenzoyl)amino]ethoxy]propanoic acid
CID 110495256
methyl 2-[2-(4-chlorophenoxy)propanoylamino]acetate
CID 43404771
2-(4-fluorophenoxy)-N-propylpropanamide
CID 21366860
2-(4-fluorophenoxy)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 46654879
(2R)-2-(4-chlorophenoxy)-N-[2-(dimethylamino)ethyl]propanamide
CID 41368435
N-(3-bromobutyl)-2,4-difluorobenzamide
CID 114312638

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-chlorophenoxy)propanoylamino]ethyl]-2,4-difluorobenzamide?
The IUPAC name of N-[2-[2-(4-chlorophenoxy)propanoylamino]ethyl]-2,4-difluorobenzamide (CID 108572727) is N-[2-[2-(4-chlorophenoxy)propanoylamino]ethyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[2-[2-(4-chlorophenoxy)propanoylamino]ethyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[2-[2-(4-chlorophenoxy)propanoylamino]ethyl]-2,4-difluorobenzamide is CC(Oc1ccc(Cl)cc1)C(=O)NCCNC(=O)c1ccc(F)cc1F.
What is the InChIKey of N-[2-[2-(4-chlorophenoxy)propanoylamino]ethyl]-2,4-difluorobenzamide?
The InChIKey is QDUULMCHCKLOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF2N2O3/c1-11(26-14-5-2-12(19)3-6-14)17(24)22-8-9-23-18(25)15-7-4-13(20)10-16(15)21/h2-7,10-11H,8-9H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-[2-(4-chlorophenoxy)propanoylamino]ethyl]-2,4-difluorobenzamide?
N-[2-[2-(4-chlorophenoxy)propanoylamino]ethyl]-2,4-difluorobenzamide has a molecular weight of 382.79 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-chlorophenoxy)propanoylamino]ethyl]-2,4-difluorobenzamide is sourced from PubChem (CID 108572727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).