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

C20H20ClNO2 — CID 24582542

IUPAC5-chloro-N-[cyclopropyl-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCc1ccc(C(NC(=O)C2Cc3cc(Cl)ccc3O2)C2CC2)cc1
InChIInChI=1S/C20H20ClNO2/c1-12-2-4-13(5-3-12)19(14-6-7-14)22-20(23)18-11-15-10-16(21)8-9-17(15)24-18/h2-5,8-10,14,18-19H,6-7,11H2,1H3,(H,22,23)
InChIKeyDQPSBQRPPVXWAA-UHFFFAOYSA-N
MW341.84 g/mol
LogP4.22
Rot. Bonds4

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

5-chloro-N-[cyclopropyl-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 24582542) has the molecular formula C20H20ClNO2 and a molecular weight of 341.84 g/mol. Its IUPAC name is 5-chloro-N-[cyclopropyl-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[cyclopropyl-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID24582542
Molecular FormulaC20H20ClNO2
Molecular Weight341.84 g/mol
Exact Mass341.12
IUPAC Name5-chloro-N-[cyclopropyl-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCc1ccc(C(NC(=O)C2Cc3cc(Cl)ccc3O2)C2CC2)cc1
InChIInChI=1S/C20H20ClNO2/c1-12-2-4-13(5-3-12)19(14-6-7-14)22-20(23)18-11-15-10-16(21)8-9-17(15)24-18/h2-5,8-10,14,18-19H,6-7,11H2,1H3,(H,22,23)
InChIKeyDQPSBQRPPVXWAA-UHFFFAOYSA-N
XLogP4.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclopropyl-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51296393
5-chloro-N-(4-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43013499
(2S)-2-[[(2R)-5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-3-methylbutanoic acid
CID 129365541
5-chloro-N-(1-naphthalen-2-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 46585233
(2R)-5-chloro-N-cycloheptyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 8006571
N-(2-amino-1-cyclohexylethyl)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 119591964
5-chloro-N-(2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43013531
1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanone
CID 67297085
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
5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42920084
5-chloro-N-[cyclopropyl-(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 86975241

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[cyclopropyl-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-[cyclopropyl-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 24582542) is 5-chloro-N-[cyclopropyl-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[cyclopropyl-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-[cyclopropyl-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide is Cc1ccc(C(NC(=O)C2Cc3cc(Cl)ccc3O2)C2CC2)cc1.
What is the InChIKey of 5-chloro-N-[cyclopropyl-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is DQPSBQRPPVXWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO2/c1-12-2-4-13(5-3-12)19(14-6-7-14)22-20(23)18-11-15-10-16(21)8-9-17(15)24-18/h2-5,8-10,14,18-19H,6-7,11H2,1H3,(H,22,23).
What are the key properties of 5-chloro-N-[cyclopropyl-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
5-chloro-N-[cyclopropyl-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 341.84 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[cyclopropyl-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 24582542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).