(2R)-5-chloro-N-[(1R)-1-naphthalen-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C21H18ClNO2 — CID 26811005

IUPAC(2R)-5-chloro-N-[(1R)-1-naphthalen-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESC[C@@H](NC(=O)[C@H]1Cc2cc(Cl)ccc2O1)c1cccc2ccccc12
InChIInChI=1S/C21H18ClNO2/c1-13(17-8-4-6-14-5-2-3-7-18(14)17)23-21(24)20-12-15-11-16(22)9-10-19(15)25-20/h2-11,13,20H,12H2,1H3,(H,23,24)/t13-,20-/m1/s1
InChIKeyYNGQESZCQCTTLQ-ZUOKHONESA-N
MW351.83 g/mol
LogP4.67
Rot. Bonds3

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

(2R)-5-chloro-N-[(1R)-1-naphthalen-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 26811005) has the molecular formula C21H18ClNO2 and a molecular weight of 351.83 g/mol. Its IUPAC name is (2R)-5-chloro-N-[(1R)-1-naphthalen-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2R)-5-chloro-N-[(1R)-1-naphthalen-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID26811005
Molecular FormulaC21H18ClNO2
Molecular Weight351.83 g/mol
Exact Mass351.10
IUPAC Name(2R)-5-chloro-N-[(1R)-1-naphthalen-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESC[C@@H](NC(=O)[C@H]1Cc2cc(Cl)ccc2O1)c1cccc2ccccc12
InChIInChI=1S/C21H18ClNO2/c1-13(17-8-4-6-14-5-2-3-7-18(14)17)23-21(24)20-12-15-11-16(22)9-10-19(15)25-20/h2-11,13,20H,12H2,1H3,(H,23,24)/t13-,20-/m1/s1
InChIKeyYNGQESZCQCTTLQ-ZUOKHONESA-N
XLogP4.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-(1-naphthalen-2-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 46585233
N-(1-naphthalen-1-ylethyl)-3,4-dihydro-2H-chromene-2-carboxamide
CID 123882977
N-[1-(3-chlorophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42892740
(2S)-2-[[(2R)-5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-3-methylbutanoic acid
CID 129365541
5-chloro-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 103782304
5-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 103801385
N-(1-naphthalen-1-ylethyl)-4-phenyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 77467355
3-[(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)amino]-2-methylpropanoic acid
CID 62676584
5-chloro-N-[2-(dimethylamino)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 46600537
5-chloro-N-(3-chlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18089364
2,2-dichloro-N-(1-naphthalen-1-ylethyl)cyclopropane-1-carboxamide
CID 42907495
(2S)-5-chloro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 94809931

Frequently Asked Questions

What is the IUPAC name of (2R)-5-chloro-N-[(1R)-1-naphthalen-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2R)-5-chloro-N-[(1R)-1-naphthalen-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 26811005) is (2R)-5-chloro-N-[(1R)-1-naphthalen-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2R)-5-chloro-N-[(1R)-1-naphthalen-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2R)-5-chloro-N-[(1R)-1-naphthalen-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide is C[C@@H](NC(=O)[C@H]1Cc2cc(Cl)ccc2O1)c1cccc2ccccc12.
What is the InChIKey of (2R)-5-chloro-N-[(1R)-1-naphthalen-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is YNGQESZCQCTTLQ-ZUOKHONESA-N. The full InChI is InChI=1S/C21H18ClNO2/c1-13(17-8-4-6-14-5-2-3-7-18(14)17)23-21(24)20-12-15-11-16(22)9-10-19(15)25-20/h2-11,13,20H,12H2,1H3,(H,23,24)/t13-,20-/m1/s1.
What are the key properties of (2R)-5-chloro-N-[(1R)-1-naphthalen-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
(2R)-5-chloro-N-[(1R)-1-naphthalen-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 351.83 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-chloro-N-[(1R)-1-naphthalen-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 26811005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).