7-chloro-N-(4-hydroxycyclohexyl)-3,5-dimethyl-1-benzofuran-2-carboxamide

C17H20ClNO3 — CID 23723269

IUPAC7-chloro-N-(4-hydroxycyclohexyl)-3,5-dimethyl-1-benzofuran-2-carboxamide
SMILESCc1cc(Cl)c2oc(C(=O)NC3CCC(O)CC3)c(C)c2c1
InChIInChI=1S/C17H20ClNO3/c1-9-7-13-10(2)15(22-16(13)14(18)8-9)17(21)19-11-3-5-12(20)6-4-11/h7-8,11-12,20H,3-6H2,1-2H3,(H,19,21)
InChIKeyJCYHAZMQHKAJKT-UHFFFAOYSA-N
MW321.80 g/mol
LogP3.74
Rot. Bonds2

About 7-chloro-N-(4-hydroxycyclohexyl)-3,5-dimethyl-1-benzofuran-2-carboxamide

7-chloro-N-(4-hydroxycyclohexyl)-3,5-dimethyl-1-benzofuran-2-carboxamide (PubChem CID 23723269) has the molecular formula C17H20ClNO3 and a molecular weight of 321.80 g/mol. Its IUPAC name is 7-chloro-N-(4-hydroxycyclohexyl)-3,5-dimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-(4-hydroxycyclohexyl)-3,5-dimethyl-1-benzofuran-2-carboxamide
PubChem CID23723269
Molecular FormulaC17H20ClNO3
Molecular Weight321.80 g/mol
Exact Mass321.11
IUPAC Name7-chloro-N-(4-hydroxycyclohexyl)-3,5-dimethyl-1-benzofuran-2-carboxamide
SMILESCc1cc(Cl)c2oc(C(=O)NC3CCC(O)CC3)c(C)c2c1
InChIInChI=1S/C17H20ClNO3/c1-9-7-13-10(2)15(22-16(13)14(18)8-9)17(21)19-11-3-5-12(20)6-4-11/h7-8,11-12,20H,3-6H2,1-2H3,(H,19,21)
InChIKeyJCYHAZMQHKAJKT-UHFFFAOYSA-N
XLogP3.74
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.80
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-N-[(3S,4R)-4-ethoxyoxolan-3-yl]-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 70726856
cis-(1S,3R)-3-[(7-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120675163
N-cyclobutyl-3,6,7-trimethyl-1-benzofuran-2-carboxamide
CID 26394079
5-bromo-N-(4-hydroxycyclohexyl)-3-methylfuran-2-carboxamide
CID 47242145
N-cyclopentyl-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 16648842
5-bromo-3-methyl-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide
CID 3947407
N-(4-aminocyclohexyl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide
CID 119475221
N-(4-aminocyclohexyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 119476472
ethyl (2S)-1-(7-chloro-3,5-dimethyl-1-benzofuran-2-carbonyl)piperidine-2-carboxylate
CID 26326730
2-[1-(3-chloro-4-methylphenyl)ethyl]-N-(4-hydroxycyclohexyl)-5-propanoylfuran-3-carboxamide
CID 163742577
5-bromo-N-(1,1-dioxothiolan-3-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 44841757
6-chloro-N-(4-hydroxycyclohexyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 78810988

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(4-hydroxycyclohexyl)-3,5-dimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of 7-chloro-N-(4-hydroxycyclohexyl)-3,5-dimethyl-1-benzofuran-2-carboxamide (CID 23723269) is 7-chloro-N-(4-hydroxycyclohexyl)-3,5-dimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-chloro-N-(4-hydroxycyclohexyl)-3,5-dimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-chloro-N-(4-hydroxycyclohexyl)-3,5-dimethyl-1-benzofuran-2-carboxamide is Cc1cc(Cl)c2oc(C(=O)NC3CCC(O)CC3)c(C)c2c1.
What is the InChIKey of 7-chloro-N-(4-hydroxycyclohexyl)-3,5-dimethyl-1-benzofuran-2-carboxamide?
The InChIKey is JCYHAZMQHKAJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO3/c1-9-7-13-10(2)15(22-16(13)14(18)8-9)17(21)19-11-3-5-12(20)6-4-11/h7-8,11-12,20H,3-6H2,1-2H3,(H,19,21).
What are the key properties of 7-chloro-N-(4-hydroxycyclohexyl)-3,5-dimethyl-1-benzofuran-2-carboxamide?
7-chloro-N-(4-hydroxycyclohexyl)-3,5-dimethyl-1-benzofuran-2-carboxamide has a molecular weight of 321.80 g/mol, XLogP of 3.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(4-hydroxycyclohexyl)-3,5-dimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 23723269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).