5-chloro-N-(3-propan-2-yloxypropyl)-2,3-dihydro-1-benzofuran-2-carboxamide

C15H20ClNO3 — CID 47123343

IUPAC5-chloro-N-(3-propan-2-yloxypropyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCC(C)OCCCNC(=O)C1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C15H20ClNO3/c1-10(2)19-7-3-6-17-15(18)14-9-11-8-12(16)4-5-13(11)20-14/h4-5,8,10,14H,3,6-7,9H2,1-2H3,(H,17,18)
InChIKeyGBCSXEPGADYLDJ-UHFFFAOYSA-N
MW297.78 g/mol
LogP2.57
Rot. Bonds6

About 5-chloro-N-(3-propan-2-yloxypropyl)-2,3-dihydro-1-benzofuran-2-carboxamide

5-chloro-N-(3-propan-2-yloxypropyl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 47123343) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is 5-chloro-N-(3-propan-2-yloxypropyl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-propan-2-yloxypropyl)-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID47123343
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name5-chloro-N-(3-propan-2-yloxypropyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCC(C)OCCCNC(=O)C1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C15H20ClNO3/c1-10(2)19-7-3-6-17-15(18)14-9-11-8-12(16)4-5-13(11)20-14/h4-5,8,10,14H,3,6-7,9H2,1-2H3,(H,17,18)
InChIKeyGBCSXEPGADYLDJ-UHFFFAOYSA-N
XLogP2.57
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-7-chloro-5-methylsulfonyl-N-(3-propan-2-yloxypropyl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide
CID 93492209
(2R)-5-chloro-N-[2-(4-chlorophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9403274
3-[(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)amino]-2-methylpropanoic acid
CID 62676584
5-chloro-N-[2-(methylamino)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 120831314
5-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47011348
5-chloro-N-(cyclohexylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 24679615
(2S)-5-chloro-N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 94183027
(2R)-5-chloro-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 8006574
5-chloro-N-[2-(pyrimidin-2-ylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51081170
N-[3-(2-methylpropoxy)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51073673
N-(3-amino-2-hydroxy-3-oxopropyl)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide
CID 106164157
N-(2-amino-2-ethylbutyl)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 119643716

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-propan-2-yloxypropyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-(3-propan-2-yloxypropyl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 47123343) is 5-chloro-N-(3-propan-2-yloxypropyl)-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-propan-2-yloxypropyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-(3-propan-2-yloxypropyl)-2,3-dihydro-1-benzofuran-2-carboxamide is CC(C)OCCCNC(=O)C1Cc2cc(Cl)ccc2O1.
What is the InChIKey of 5-chloro-N-(3-propan-2-yloxypropyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is GBCSXEPGADYLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-10(2)19-7-3-6-17-15(18)14-9-11-8-12(16)4-5-13(11)20-14/h4-5,8,10,14H,3,6-7,9H2,1-2H3,(H,17,18).
What are the key properties of 5-chloro-N-(3-propan-2-yloxypropyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
5-chloro-N-(3-propan-2-yloxypropyl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 297.78 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-propan-2-yloxypropyl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 47123343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).