(2R)-5-chloro-N-(2-imidazol-1-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide

C14H14ClN3O2 — CID 94017066

IUPAC(2R)-5-chloro-N-(2-imidazol-1-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NCCn1ccnc1)[C@H]1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C14H14ClN3O2/c15-11-1-2-12-10(7-11)8-13(20-12)14(19)17-4-6-18-5-3-16-9-18/h1-3,5,7,9,13H,4,6,8H2,(H,17,19)/t13-/m1/s1
InChIKeyUJZZBHVYSXUONN-CYBMUJFWSA-N
MW291.74 g/mol
LogP1.66
Rot. Bonds4

About (2R)-5-chloro-N-(2-imidazol-1-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide

(2R)-5-chloro-N-(2-imidazol-1-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 94017066) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is (2R)-5-chloro-N-(2-imidazol-1-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2R)-5-chloro-N-(2-imidazol-1-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID94017066
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name(2R)-5-chloro-N-(2-imidazol-1-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NCCn1ccnc1)[C@H]1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C14H14ClN3O2/c15-11-1-2-12-10(7-11)8-13(20-12)14(19)17-4-6-18-5-3-16-9-18/h1-3,5,7,9,13H,4,6,8H2,(H,17,19)/t13-/m1/s1
InChIKeyUJZZBHVYSXUONN-CYBMUJFWSA-N
XLogP1.66
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-5-chloro-N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 94183027
6-chloro-N-(3-imidazol-1-ylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 51074134
(2R)-5-chloro-N-[2-(4-chlorophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9403274
5-chloro-N-[2-(pyrimidin-2-ylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51081170
5-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47011348
N-(2-imidazol-1-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 61324510
5-chloro-N-(3-propan-2-yloxypropyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47123343
3-[(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)amino]-2-methylpropanoic acid
CID 62676584
N-(3-imidazol-1-ylpropyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxamide
CID 4637422
N-(3-amino-2-hydroxy-3-oxopropyl)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide
CID 106164157
5-chloro-N-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42893127
(2R)-5-chloro-N-[2-[methyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 52514131

Frequently Asked Questions

What is the IUPAC name of (2R)-5-chloro-N-(2-imidazol-1-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2R)-5-chloro-N-(2-imidazol-1-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 94017066) is (2R)-5-chloro-N-(2-imidazol-1-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2R)-5-chloro-N-(2-imidazol-1-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2R)-5-chloro-N-(2-imidazol-1-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(NCCn1ccnc1)[C@H]1Cc2cc(Cl)ccc2O1.
What is the InChIKey of (2R)-5-chloro-N-(2-imidazol-1-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is UJZZBHVYSXUONN-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c15-11-1-2-12-10(7-11)8-13(20-12)14(19)17-4-6-18-5-3-16-9-18/h1-3,5,7,9,13H,4,6,8H2,(H,17,19)/t13-/m1/s1.
What are the key properties of (2R)-5-chloro-N-(2-imidazol-1-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
(2R)-5-chloro-N-(2-imidazol-1-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 291.74 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-chloro-N-(2-imidazol-1-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 94017066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).