(2R)-5-chloro-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C17H16ClNO3 — CID 8006574

IUPAC(2R)-5-chloro-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCOc1ccc(CNC(=O)[C@H]2Cc3cc(Cl)ccc3O2)cc1
InChIInChI=1S/C17H16ClNO3/c1-21-14-5-2-11(3-6-14)10-19-17(20)16-9-12-8-13(18)4-7-15(12)22-16/h2-8,16H,9-10H2,1H3,(H,19,20)/t16-/m1/s1
InChIKeyPVBSRFHIYLOREO-MRXNPFEDSA-N
MW317.77 g/mol
LogP2.97
Rot. Bonds4

About (2R)-5-chloro-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide

(2R)-5-chloro-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 8006574) has the molecular formula C17H16ClNO3 and a molecular weight of 317.77 g/mol. Its IUPAC name is (2R)-5-chloro-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2R)-5-chloro-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID8006574
Molecular FormulaC17H16ClNO3
Molecular Weight317.77 g/mol
Exact Mass317.08
IUPAC Name(2R)-5-chloro-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCOc1ccc(CNC(=O)[C@H]2Cc3cc(Cl)ccc3O2)cc1
InChIInChI=1S/C17H16ClNO3/c1-21-14-5-2-11(3-6-14)10-19-17(20)16-9-12-8-13(18)4-7-15(12)22-16/h2-8,16H,9-10H2,1H3,(H,19,20)/t16-/m1/s1
InChIKeyPVBSRFHIYLOREO-MRXNPFEDSA-N
XLogP2.97
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 17446513
N-[(6-methoxynaphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51317174
(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
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide
CID 155821492
(2S)-5-chloro-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26705155
(2R)-5-chloro-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26705156
5-chloro-N-(cyclohexylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 24679615
5-chloro-N-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 166209498
(3S)-6-chloro-N-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 9088165
5-chloro-N-[2-(methylamino)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 120831314
5-chloro-N-(3-propan-2-yloxypropyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47123343

Frequently Asked Questions

What is the IUPAC name of (2R)-5-chloro-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2R)-5-chloro-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 8006574) is (2R)-5-chloro-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2R)-5-chloro-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2R)-5-chloro-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide is COc1ccc(CNC(=O)[C@H]2Cc3cc(Cl)ccc3O2)cc1.
What is the InChIKey of (2R)-5-chloro-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is PVBSRFHIYLOREO-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H16ClNO3/c1-21-14-5-2-11(3-6-14)10-19-17(20)16-9-12-8-13(18)4-7-15(12)22-16/h2-8,16H,9-10H2,1H3,(H,19,20)/t16-/m1/s1.
What are the key properties of (2R)-5-chloro-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
(2R)-5-chloro-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 317.77 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-chloro-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 8006574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).