N-[(2S,3S)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-3,4-dihydro-2H-pyran-5-carboxamide

C16H17ClFNO3 — CID 97109066

IUPACN-[(2S,3S)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-3,4-dihydro-2H-pyran-5-carboxamide
SMILESO=C(N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C1=COCCC1
InChIInChI=1S/C16H17ClFNO3/c17-12-4-3-10(8-13(12)18)15-14(5-7-22-15)19-16(20)11-2-1-6-21-9-11/h3-4,8-9,14-15H,1-2,5-7H2,(H,19,20)/t14-,15-/m0/s1
InChIKeyUQCYTPLPYHLKDY-GJZGRUSLSA-N
MW325.77 g/mol
LogP3.12
Rot. Bonds3

About N-[(2S,3S)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-3,4-dihydro-2H-pyran-5-carboxamide

N-[(2S,3S)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-3,4-dihydro-2H-pyran-5-carboxamide (PubChem CID 97109066) has the molecular formula C16H17ClFNO3 and a molecular weight of 325.77 g/mol. Its IUPAC name is N-[(2S,3S)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-3,4-dihydro-2H-pyran-5-carboxamide.

Molecular Properties

Compound NameN-[(2S,3S)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-3,4-dihydro-2H-pyran-5-carboxamide
PubChem CID97109066
Molecular FormulaC16H17ClFNO3
Molecular Weight325.77 g/mol
Exact Mass325.09
IUPAC NameN-[(2S,3S)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-3,4-dihydro-2H-pyran-5-carboxamide
SMILESO=C(N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C1=COCCC1
InChIInChI=1S/C16H17ClFNO3/c17-12-4-3-10(8-13(12)18)15-14(5-7-22-15)19-16(20)11-2-1-6-21-9-11/h3-4,8-9,14-15H,1-2,5-7H2,(H,19,20)/t14-,15-/m0/s1
InChIKeyUQCYTPLPYHLKDY-GJZGRUSLSA-N
XLogP3.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.77
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 84595648
ethyl 3-[[(2S,3R)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]amino]-3-oxopropanoate
CID 139021689
(2S)-N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-4-methylmorpholine-2-carboxamide
CID 97109067
3-[2-[[2-(4-chloro-3-fluorophenyl)oxolan-3-yl]amino]-2-oxoethyl]benzoic acid
CID 120552150
N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-3-pyridin-4-ylpropanamide
CID 97109107
N-[(6R,7S)-7-(4-chloro-3-fluorophenyl)-1,4-oxazepan-6-yl]acetamide
CID 66976115
3-[[[2-(4-chloro-3-fluorophenyl)oxolan-3-yl]amino]methyl]benzoic acid
CID 122032419
N-[(2S,3R)-2-(3,4-difluorophenyl)oxolan-3-yl]-2-methyl-3-methylsulfanylpropanamide
CID 139021702
2-(4-chloro-3-fluorophenyl)-3-(chloromethyl)oxolane
CID 79372992
3-[[(2S,3R)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]amino]-1-ethylpyrrolidin-2-one
CID 154844054
4-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]-4-oxobutanoic acid
CID 120552158
3-[[(2S,3R)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]amino]cyclopentane-1-carbonitrile
CID 139021592

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-3,4-dihydro-2H-pyran-5-carboxamide?
The IUPAC name of N-[(2S,3S)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-3,4-dihydro-2H-pyran-5-carboxamide (CID 97109066) is N-[(2S,3S)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-3,4-dihydro-2H-pyran-5-carboxamide.
What is the SMILES notation for N-[(2S,3S)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-3,4-dihydro-2H-pyran-5-carboxamide?
The canonical SMILES for N-[(2S,3S)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-3,4-dihydro-2H-pyran-5-carboxamide is O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C1=COCCC1.
What is the InChIKey of N-[(2S,3S)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-3,4-dihydro-2H-pyran-5-carboxamide?
The InChIKey is UQCYTPLPYHLKDY-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H17ClFNO3/c17-12-4-3-10(8-13(12)18)15-14(5-7-22-15)19-16(20)11-2-1-6-21-9-11/h3-4,8-9,14-15H,1-2,5-7H2,(H,19,20)/t14-,15-/m0/s1.
What are the key properties of N-[(2S,3S)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-3,4-dihydro-2H-pyran-5-carboxamide?
N-[(2S,3S)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-3,4-dihydro-2H-pyran-5-carboxamide has a molecular weight of 325.77 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-3,4-dihydro-2H-pyran-5-carboxamide is sourced from PubChem (CID 97109066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).