N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide

C18H18ClNO3 — CID 110004495

IUPACN-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCC1c2ccccc2OC1C(=O)NC(CO)c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClNO3/c1-11-14-4-2-3-5-16(14)23-17(11)18(22)20-15(10-21)12-6-8-13(19)9-7-12/h2-9,11,15,17,21H,10H2,1H3,(H,20,22)
InChIKeyRFGFICHZWROOOO-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.05
Rot. Bonds4

About N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide

N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 110004495) has the molecular formula C18H18ClNO3 and a molecular weight of 331.80 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID110004495
Molecular FormulaC18H18ClNO3
Molecular Weight331.80 g/mol
Exact Mass331.10
IUPAC NameN-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCC1c2ccccc2OC1C(=O)NC(CO)c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClNO3/c1-11-14-4-2-3-5-16(14)23-17(11)18(22)20-15(10-21)12-6-8-13(19)9-7-12/h2-9,11,15,17,21H,10H2,1H3,(H,20,22)
InChIKeyRFGFICHZWROOOO-UHFFFAOYSA-N
XLogP3.05
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3,4-dihydro-1H-isochromene-1-carboxamide
CID 75519831
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2,6-dimethyloxane-4-carboxamide
CID 110004493
2-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110004367
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-7-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110004473
2-methyl-N-(1-phenylbutyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 46808058
4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 1480121
(2R,3S)-N-[(5-chloro-3-pyridinyl)sulfonyl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 99578209
2-(4-chlorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 39394106
methyl 3-[(2-methyl-2,3-dihydro-1,4-benzodioxine-3-carbonyl)amino]-3-(4-methylphenyl)propanoate
CID 55501332
6-chloro-N-(2-hydroxy-1-phenylethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 110001475
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide
CID 110004375
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 110004268

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide (CID 110004495) is N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide is CC1c2ccccc2OC1C(=O)NC(CO)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is RFGFICHZWROOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO3/c1-11-14-4-2-3-5-16(14)23-17(11)18(22)20-15(10-21)12-6-8-13(19)9-7-12/h2-9,11,15,17,21H,10H2,1H3,(H,20,22).
What are the key properties of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide?
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 331.80 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 110004495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).