(2R)-5-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide

C15H16ClN3O3 — CID 96519105

IUPAC(2R)-5-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCOCCn1cc(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)cn1
InChIInChI=1S/C15H16ClN3O3/c1-21-5-4-19-9-12(8-17-19)18-15(20)14-7-10-6-11(16)2-3-13(10)22-14/h2-3,6,8-9,14H,4-5,7H2,1H3,(H,18,20)/t14-/m1/s1
InChIKeyCCJKEVJDXADVER-CQSZACIVSA-N
MW321.76 g/mol
LogP2.13
Rot. Bonds5

About (2R)-5-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide

(2R)-5-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 96519105) has the molecular formula C15H16ClN3O3 and a molecular weight of 321.76 g/mol. Its IUPAC name is (2R)-5-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2R)-5-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID96519105
Molecular FormulaC15H16ClN3O3
Molecular Weight321.76 g/mol
Exact Mass321.09
IUPAC Name(2R)-5-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCOCCn1cc(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)cn1
InChIInChI=1S/C15H16ClN3O3/c1-21-5-4-19-9-12(8-17-19)18-15(20)14-7-10-6-11(16)2-3-13(10)22-14/h2-3,6,8-9,14H,4-5,7H2,1H3,(H,18,20)/t14-/m1/s1
InChIKeyCCJKEVJDXADVER-CQSZACIVSA-N
XLogP2.13
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-5-chloro-N-(1-methylpyrazol-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 32606463
(2R)-5-chloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51497719
5-fluoro-N-(1-methylpyrazol-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 126779485
5-chloro-N-(3-chlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18089364
(2R)-5-chloro-N-(4-cyanophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26689499
5-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 46652079
1-(2,3-dihydro-1-benzofuran-5-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
CID 122131901
2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]cyclohexane-1-carboxamide
CID 64824534
(2S,4S)-4-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methylpyrrolidine-2-carboxamide
CID 128979339
5-chloro-N-[4-(difluoromethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43013576
5-chloro-N-(4-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43013499
(2R)-5-chloro-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 8006574

Frequently Asked Questions

What is the IUPAC name of (2R)-5-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2R)-5-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 96519105) is (2R)-5-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2R)-5-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2R)-5-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide is COCCn1cc(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)cn1.
What is the InChIKey of (2R)-5-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is CCJKEVJDXADVER-CQSZACIVSA-N. The full InChI is InChI=1S/C15H16ClN3O3/c1-21-5-4-19-9-12(8-17-19)18-15(20)14-7-10-6-11(16)2-3-13(10)22-14/h2-3,6,8-9,14H,4-5,7H2,1H3,(H,18,20)/t14-/m1/s1.
What are the key properties of (2R)-5-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide?
(2R)-5-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 321.76 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 96519105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).