N-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]oxane-4-carboxamide

C14H16Cl2FNO2 — CID 30972064

IUPACN-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]oxane-4-carboxamide
SMILESC[C@@H](NC(=O)C1CCOCC1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C14H16Cl2FNO2/c1-8(10-6-13(17)12(16)7-11(10)15)18-14(19)9-2-4-20-5-3-9/h6-9H,2-5H2,1H3,(H,18,19)/t8-/m1/s1
InChIKeyBUSBVYCIKMNNSE-MRVPVSSYSA-N
MW320.19 g/mol
LogP3.74
Rot. Bonds3

About N-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]oxane-4-carboxamide

N-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]oxane-4-carboxamide (PubChem CID 30972064) has the molecular formula C14H16Cl2FNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is N-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]oxane-4-carboxamide
PubChem CID30972064
Molecular FormulaC14H16Cl2FNO2
Molecular Weight320.19 g/mol
Exact Mass319.05
IUPAC NameN-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]oxane-4-carboxamide
SMILESC[C@@H](NC(=O)C1CCOCC1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C14H16Cl2FNO2/c1-8(10-6-13(17)12(16)7-11(10)15)18-14(19)9-2-4-20-5-3-9/h6-9H,2-5H2,1H3,(H,18,19)/t8-/m1/s1
InChIKeyBUSBVYCIKMNNSE-MRVPVSSYSA-N
XLogP3.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.74
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

N-[2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 115706405
(2S)-2-N-[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]pyrrolidine-1,2-dicarboxamide
CID 96567894
N-[1-(3-chlorophenyl)ethyl]oxane-4-carboxamide
CID 51073080
N-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide
CID 41137309
4-[1-(2-chloro-4-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673773
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-(diethylamino)acetamide
CID 112799664
1-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-[(1R,2R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]urea
CID 167753113
4-cyano-N-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]piperidine-1-carboxamide
CID 94800670
1-(cyclopropylmethyl)-3-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1-propylurea
CID 112831924
7-amino-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]heptanamide;hydrochloride
CID 119686390
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide
CID 112764235
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119686394

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]oxane-4-carboxamide?
The IUPAC name of N-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]oxane-4-carboxamide (CID 30972064) is N-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]oxane-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]oxane-4-carboxamide?
The canonical SMILES for N-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]oxane-4-carboxamide is C[C@@H](NC(=O)C1CCOCC1)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of N-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]oxane-4-carboxamide?
The InChIKey is BUSBVYCIKMNNSE-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H16Cl2FNO2/c1-8(10-6-13(17)12(16)7-11(10)15)18-14(19)9-2-4-20-5-3-9/h6-9H,2-5H2,1H3,(H,18,19)/t8-/m1/s1.
What are the key properties of N-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]oxane-4-carboxamide?
N-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]oxane-4-carboxamide has a molecular weight of 320.19 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]oxane-4-carboxamide is sourced from PubChem (CID 30972064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).