(3R)-N-(4-chloro-2-fluorophenyl)-N-ethyloxane-3-carboxamide

C14H17ClFNO2 — CID 124841562

IUPAC(3R)-N-(4-chloro-2-fluorophenyl)-N-ethyloxane-3-carboxamide
SMILESCCN(C(=O)[C@@H]1CCCOC1)c1ccc(Cl)cc1F
InChIInChI=1S/C14H17ClFNO2/c1-2-17(13-6-5-11(15)8-12(13)16)14(18)10-4-3-7-19-9-10/h5-6,8,10H,2-4,7,9H2,1H3/t10-/m1/s1
InChIKeyASPJPGXVPATILR-SNVBAGLBSA-N
MW285.75 g/mol
LogP3.26
Rot. Bonds3

About (3R)-N-(4-chloro-2-fluorophenyl)-N-ethyloxane-3-carboxamide

(3R)-N-(4-chloro-2-fluorophenyl)-N-ethyloxane-3-carboxamide (PubChem CID 124841562) has the molecular formula C14H17ClFNO2 and a molecular weight of 285.75 g/mol. Its IUPAC name is (3R)-N-(4-chloro-2-fluorophenyl)-N-ethyloxane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-chloro-2-fluorophenyl)-N-ethyloxane-3-carboxamide
PubChem CID124841562
Molecular FormulaC14H17ClFNO2
Molecular Weight285.75 g/mol
Exact Mass285.09
IUPAC Name(3R)-N-(4-chloro-2-fluorophenyl)-N-ethyloxane-3-carboxamide
SMILESCCN(C(=O)[C@@H]1CCCOC1)c1ccc(Cl)cc1F
InChIInChI=1S/C14H17ClFNO2/c1-2-17(13-6-5-11(15)8-12(13)16)14(18)10-4-3-7-19-9-10/h5-6,8,10H,2-4,7,9H2,1H3/t10-/m1/s1
InChIKeyASPJPGXVPATILR-SNVBAGLBSA-N
XLogP3.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-phenyloxane-3-carboxamide
CID 110857893
(3S)-N-(4-chloro-3-fluorophenyl)-N-ethyloxolane-3-carboxamide
CID 129433195
N-(3-aminopropyl)-N-(4-fluorophenyl)oxane-3-carboxamide
CID 63011144
(3S)-N-[3-(4-chlorophenyl)pentan-3-yl]oxane-3-carboxamide
CID 97310475
N-(2-chloroethyl)-N-ethyloxane-3-carboxamide
CID 63395312
5-chloro-2-fluoro-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 63713162
(4-chloro-2,5-difluorophenyl)-(oxan-3-yl)methanone
CID 107138527
N-(2-amino-2-sulfanylideneethyl)-N-ethyloxane-3-carboxamide
CID 63014350
(3-chlorophenyl)-(oxan-3-yl)methanone
CID 65332391
N-[(5-amino-2-chlorophenyl)methyl]-N-methyloxane-3-carboxamide
CID 63010284
(3R)-N-(cyclopropylmethyl)-N-phenyloxane-3-carboxamide
CID 97082635
(2-amino-4-chlorophenyl)-(oxan-3-yl)methanone;hydrochloride
CID 122164181

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-chloro-2-fluorophenyl)-N-ethyloxane-3-carboxamide?
The IUPAC name of (3R)-N-(4-chloro-2-fluorophenyl)-N-ethyloxane-3-carboxamide (CID 124841562) is (3R)-N-(4-chloro-2-fluorophenyl)-N-ethyloxane-3-carboxamide.
What is the SMILES notation for (3R)-N-(4-chloro-2-fluorophenyl)-N-ethyloxane-3-carboxamide?
The canonical SMILES for (3R)-N-(4-chloro-2-fluorophenyl)-N-ethyloxane-3-carboxamide is CCN(C(=O)[C@@H]1CCCOC1)c1ccc(Cl)cc1F.
What is the InChIKey of (3R)-N-(4-chloro-2-fluorophenyl)-N-ethyloxane-3-carboxamide?
The InChIKey is ASPJPGXVPATILR-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17ClFNO2/c1-2-17(13-6-5-11(15)8-12(13)16)14(18)10-4-3-7-19-9-10/h5-6,8,10H,2-4,7,9H2,1H3/t10-/m1/s1.
What are the key properties of (3R)-N-(4-chloro-2-fluorophenyl)-N-ethyloxane-3-carboxamide?
(3R)-N-(4-chloro-2-fluorophenyl)-N-ethyloxane-3-carboxamide has a molecular weight of 285.75 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-chloro-2-fluorophenyl)-N-ethyloxane-3-carboxamide is sourced from PubChem (CID 124841562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).