(2R)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C19H18N4O2 — CID 37007761

IUPAC(2R)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESC[C@H](NC(=O)[C@H]1Cc2ccccc2O1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C19H18N4O2/c1-13(14-6-8-16(9-7-14)23-12-20-11-21-23)22-19(24)18-10-15-4-2-3-5-17(15)25-18/h2-9,11-13,18H,10H2,1H3,(H,22,24)/t13-,18+/m0/s1
InChIKeyZCYVITHINFGZSJ-SCLBCKFNSA-N
MW334.38 g/mol
LogP2.45
Rot. Bonds4

About (2R)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide

(2R)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 37007761) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is (2R)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID37007761
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name(2R)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESC[C@H](NC(=O)[C@H]1Cc2ccccc2O1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C19H18N4O2/c1-13(14-6-8-16(9-7-14)23-12-20-11-21-23)22-19(24)18-10-15-4-2-3-5-17(15)25-18/h2-9,11-13,18H,10H2,1H3,(H,22,24)/t13-,18+/m0/s1
InChIKeyZCYVITHINFGZSJ-SCLBCKFNSA-N
XLogP2.45
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]cyclohexanecarboxamide
CID 17427032
(2S)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 39996118
4-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672318
N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119271886
N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51098013
2-[4-[(1R)-1-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]ethyl]phenoxy]acetic acid
CID 129469380
N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119271876
(2R)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 25336972
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]acetamide
CID 87014156
1-phenyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]cyclopropane-1-carboxamide
CID 51199191
N-(3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47127876
6-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 17454738

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2R)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 37007761) is (2R)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2R)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2R)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide is C[C@H](NC(=O)[C@H]1Cc2ccccc2O1)c1ccc(-n2cncn2)cc1.
What is the InChIKey of (2R)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is ZCYVITHINFGZSJ-SCLBCKFNSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-13(14-6-8-16(9-7-14)23-12-20-11-21-23)22-19(24)18-10-15-4-2-3-5-17(15)25-18/h2-9,11-13,18H,10H2,1H3,(H,22,24)/t13-,18+/m0/s1.
What are the key properties of (2R)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
(2R)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 37007761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).