7-chloro-N-[(2R)-1-(furan-2-yl)propan-2-yl]-1,3-benzodioxole-5-carboxamide

C15H14ClNO4 — CID 51938287

IUPAC7-chloro-N-[(2R)-1-(furan-2-yl)propan-2-yl]-1,3-benzodioxole-5-carboxamide
SMILESC[C@H](Cc1ccco1)NC(=O)c1cc(Cl)c2c(c1)OCO2
InChIInChI=1S/C15H14ClNO4/c1-9(5-11-3-2-4-19-11)17-15(18)10-6-12(16)14-13(7-10)20-8-21-14/h2-4,6-7,9H,5,8H2,1H3,(H,17,18)/t9-/m1/s1
InChIKeyJALYWVACZUJUEE-SECBINFHSA-N
MW307.73 g/mol
LogP3.02
Rot. Bonds4

About 7-chloro-N-[(2R)-1-(furan-2-yl)propan-2-yl]-1,3-benzodioxole-5-carboxamide

7-chloro-N-[(2R)-1-(furan-2-yl)propan-2-yl]-1,3-benzodioxole-5-carboxamide (PubChem CID 51938287) has the molecular formula C15H14ClNO4 and a molecular weight of 307.73 g/mol. Its IUPAC name is 7-chloro-N-[(2R)-1-(furan-2-yl)propan-2-yl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[(2R)-1-(furan-2-yl)propan-2-yl]-1,3-benzodioxole-5-carboxamide
PubChem CID51938287
Molecular FormulaC15H14ClNO4
Molecular Weight307.73 g/mol
Exact Mass307.06
IUPAC Name7-chloro-N-[(2R)-1-(furan-2-yl)propan-2-yl]-1,3-benzodioxole-5-carboxamide
SMILESC[C@H](Cc1ccco1)NC(=O)c1cc(Cl)c2c(c1)OCO2
InChIInChI=1S/C15H14ClNO4/c1-9(5-11-3-2-4-19-11)17-15(18)10-6-12(16)14-13(7-10)20-8-21-14/h2-4,6-7,9H,5,8H2,1H3,(H,17,18)/t9-/m1/s1
InChIKeyJALYWVACZUJUEE-SECBINFHSA-N
XLogP3.02
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(2R)-1-(furan-2-yl)propan-2-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 51938289
7-chloro-N-(6-methylheptan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 46515788
7-chloro-N-[(2S)-1-methoxypropan-2-yl]-1,3-benzodioxole-5-carboxamide
CID 34834045
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 7-chloro-1,3-benzodioxole-5-carboxylate
CID 31672186
N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47148390
2-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-methylpyridine-4-carboxamide
CID 113378355
7-chloro-N-[(1S)-1-cyclopropylethyl]-1,3-benzodioxole-5-carboxamide
CID 51465630
7-chloro-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
CID 39754944
7-chloro-N-[1-(4-fluorophenyl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 46654256
6-chloro-N-[1-(furan-2-yl)propan-2-yl]-1,3-benzodioxol-5-amine
CID 55181891
7-chloro-N-[(2R)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide
CID 83032162
5-chloro-N-[(2S)-5-methylhexan-2-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 32652358

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[(2R)-1-(furan-2-yl)propan-2-yl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of 7-chloro-N-[(2R)-1-(furan-2-yl)propan-2-yl]-1,3-benzodioxole-5-carboxamide (CID 51938287) is 7-chloro-N-[(2R)-1-(furan-2-yl)propan-2-yl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for 7-chloro-N-[(2R)-1-(furan-2-yl)propan-2-yl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for 7-chloro-N-[(2R)-1-(furan-2-yl)propan-2-yl]-1,3-benzodioxole-5-carboxamide is C[C@H](Cc1ccco1)NC(=O)c1cc(Cl)c2c(c1)OCO2.
What is the InChIKey of 7-chloro-N-[(2R)-1-(furan-2-yl)propan-2-yl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is JALYWVACZUJUEE-SECBINFHSA-N. The full InChI is InChI=1S/C15H14ClNO4/c1-9(5-11-3-2-4-19-11)17-15(18)10-6-12(16)14-13(7-10)20-8-21-14/h2-4,6-7,9H,5,8H2,1H3,(H,17,18)/t9-/m1/s1.
What are the key properties of 7-chloro-N-[(2R)-1-(furan-2-yl)propan-2-yl]-1,3-benzodioxole-5-carboxamide?
7-chloro-N-[(2R)-1-(furan-2-yl)propan-2-yl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 307.73 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[(2R)-1-(furan-2-yl)propan-2-yl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 51938287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).