(2S)-N-(2-bromo-3-chlorophenyl)oxolane-2-carboxamide

C11H11BrClNO2 — CID 103479904

IUPAC(2S)-N-(2-bromo-3-chlorophenyl)oxolane-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Br)[C@@H]1CCCO1
InChIInChI=1S/C11H11BrClNO2/c12-10-7(13)3-1-4-8(10)14-11(15)9-5-2-6-16-9/h1,3-4,9H,2,5-6H2,(H,14,15)/t9-/m0/s1
InChIKeySGXANZFQUQDNGL-VIFPVBQESA-N
MW304.57 g/mol
LogP3.22
Rot. Bonds2

About (2S)-N-(2-bromo-3-chlorophenyl)oxolane-2-carboxamide

(2S)-N-(2-bromo-3-chlorophenyl)oxolane-2-carboxamide (PubChem CID 103479904) has the molecular formula C11H11BrClNO2 and a molecular weight of 304.57 g/mol. Its IUPAC name is (2S)-N-(2-bromo-3-chlorophenyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-bromo-3-chlorophenyl)oxolane-2-carboxamide
PubChem CID103479904
Molecular FormulaC11H11BrClNO2
Molecular Weight304.57 g/mol
Exact Mass302.97
IUPAC Name(2S)-N-(2-bromo-3-chlorophenyl)oxolane-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Br)[C@@H]1CCCO1
InChIInChI=1S/C11H11BrClNO2/c12-10-7(13)3-1-4-8(10)14-11(15)9-5-2-6-16-9/h1,3-4,9H,2,5-6H2,(H,14,15)/t9-/m0/s1
InChIKeySGXANZFQUQDNGL-VIFPVBQESA-N
XLogP3.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.57
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dichlorophenyl)oxolane-2-carboxamide
CID 3155144
N-(3-chloro-2-methylphenyl)oxane-2-carboxamide
CID 110859024
N-(2-bromo-3-chlorophenyl)-5-methyloxolane-2-carboxamide
CID 103479768
N-(5,6,7,8-tetrahydronaphthalen-1-yl)oxolane-2-carboxamide
CID 42904447
N-(2-bromo-3-chlorophenyl)oxolane-3-carboxamide
CID 103479847
N-(2-bromophenyl)oxane-2-carboxamide
CID 62214619
N-(3-chloro-2-pyrazol-1-ylphenyl)oxolane-2-carboxamide
CID 87007046
N-(2-chloro-3-pyridinyl)oxolane-2-carboxamide
CID 4166852
N-(2-bromo-5-chlorophenyl)oxolane-2-carboxamide
CID 81272173
(2S)-N-[2-tert-butyl-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 58409794
(2R)-N-(2,5-dichlorophenyl)oxolane-2-carboxamide
CID 1086830
N-(3-hydroxy-2-methylphenyl)oxolane-2-carboxamide
CID 64793799

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-bromo-3-chlorophenyl)oxolane-2-carboxamide?
The IUPAC name of (2S)-N-(2-bromo-3-chlorophenyl)oxolane-2-carboxamide (CID 103479904) is (2S)-N-(2-bromo-3-chlorophenyl)oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-bromo-3-chlorophenyl)oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-(2-bromo-3-chlorophenyl)oxolane-2-carboxamide is O=C(Nc1cccc(Cl)c1Br)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-(2-bromo-3-chlorophenyl)oxolane-2-carboxamide?
The InChIKey is SGXANZFQUQDNGL-VIFPVBQESA-N. The full InChI is InChI=1S/C11H11BrClNO2/c12-10-7(13)3-1-4-8(10)14-11(15)9-5-2-6-16-9/h1,3-4,9H,2,5-6H2,(H,14,15)/t9-/m0/s1.
What are the key properties of (2S)-N-(2-bromo-3-chlorophenyl)oxolane-2-carboxamide?
(2S)-N-(2-bromo-3-chlorophenyl)oxolane-2-carboxamide has a molecular weight of 304.57 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-bromo-3-chlorophenyl)oxolane-2-carboxamide is sourced from PubChem (CID 103479904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).