(2S)-N-[5-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]oxolane-2-carboxamide

C17H15Cl2N3O3 — CID 96510032

IUPAC(2S)-N-[5-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)c1ccc(Cl)cc1NC(=O)[C@@H]1CCCO1
InChIInChI=1S/C17H15Cl2N3O3/c18-10-3-5-12(16(23)22-15-6-4-11(19)9-20-15)13(8-10)21-17(24)14-2-1-7-25-14/h3-6,8-9,14H,1-2,7H2,(H,21,24)(H,20,22,23)/t14-/m0/s1
InChIKeyYTOXPFTWJYFMDF-AWEZNQCLSA-N
MW380.23 g/mol
LogP3.76
Rot. Bonds4

About (2S)-N-[5-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]oxolane-2-carboxamide

(2S)-N-[5-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]oxolane-2-carboxamide (PubChem CID 96510032) has the molecular formula C17H15Cl2N3O3 and a molecular weight of 380.23 g/mol. Its IUPAC name is (2S)-N-[5-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[5-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]oxolane-2-carboxamide
PubChem CID96510032
Molecular FormulaC17H15Cl2N3O3
Molecular Weight380.23 g/mol
Exact Mass379.05
IUPAC Name(2S)-N-[5-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)c1ccc(Cl)cc1NC(=O)[C@@H]1CCCO1
InChIInChI=1S/C17H15Cl2N3O3/c18-10-3-5-12(16(23)22-15-6-4-11(19)9-20-15)13(8-10)21-17(24)14-2-1-7-25-14/h3-6,8-9,14H,1-2,7H2,(H,21,24)(H,20,22,23)/t14-/m0/s1
InChIKeyYTOXPFTWJYFMDF-AWEZNQCLSA-N
XLogP3.76
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(2,5-dichlorophenyl)oxolane-2-carboxamide
CID 1086830
N-(2-bromo-5-chlorophenyl)oxolane-2-carboxamide
CID 81272173
N-[5-[4-chloro-2-(trifluoromethyl)anilino]-2-pyridinyl]oxolane-2-carboxamide
CID 113036581
N-(4-chloro-2-methylphenyl)oxolane-2-carboxamide
CID 42906730
(2S)-N-(5-iodo-2-pyridinyl)oxolane-2-carboxamide
CID 103873257
(2S)-N-(5-bromo-2-pyridinyl)oxolane-2-carboxamide
CID 7346608
(2R)-N-(4-chloro-2-cyanophenyl)oxolane-2-carboxamide
CID 126837214
(2R)-N-[2-(4-chlorophenyl)pyrimidin-5-yl]oxolane-2-carboxamide
CID 95100497
N-(2-chloro-5-methyl-3-pyridinyl)oxolane-2-carboxamide
CID 102979589
N-(6-chloro-1,3-benzothiazol-2-yl)oxolane-2-carboxamide
CID 5084878
(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)oxolane-2-carboxamide
CID 7027208
N-(2-chloro-3-pyridinyl)oxolane-2-carboxamide
CID 4166852

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[5-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[5-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]oxolane-2-carboxamide (CID 96510032) is (2S)-N-[5-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[5-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[5-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]oxolane-2-carboxamide is O=C(Nc1ccc(Cl)cn1)c1ccc(Cl)cc1NC(=O)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-[5-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]oxolane-2-carboxamide?
The InChIKey is YTOXPFTWJYFMDF-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H15Cl2N3O3/c18-10-3-5-12(16(23)22-15-6-4-11(19)9-20-15)13(8-10)21-17(24)14-2-1-7-25-14/h3-6,8-9,14H,1-2,7H2,(H,21,24)(H,20,22,23)/t14-/m0/s1.
What are the key properties of (2S)-N-[5-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]oxolane-2-carboxamide?
(2S)-N-[5-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]oxolane-2-carboxamide has a molecular weight of 380.23 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[5-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 96510032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).