2-chloro-N-(9-hydroxy-6,7,8,9-tetrahydrodibenzofuran-4-yl)-6-methylbenzamide

C20H18ClNO3 — CID 54033825

IUPAC2-chloro-N-(9-hydroxy-6,7,8,9-tetrahydrodibenzofuran-4-yl)-6-methylbenzamide
SMILESCc1cccc(Cl)c1C(=O)Nc1cccc2c3c(oc12)CCCC3O
InChIInChI=1S/C20H18ClNO3/c1-11-5-2-7-13(21)17(11)20(24)22-14-8-3-6-12-18-15(23)9-4-10-16(18)25-19(12)14/h2-3,5-8,15,23H,4,9-10H2,1H3,(H,22,24)
InChIKeyLHNHYGYNWWWRGF-UHFFFAOYSA-N
MW355.82 g/mol
LogP5.02
Rot. Bonds2

About 2-chloro-N-(9-hydroxy-6,7,8,9-tetrahydrodibenzofuran-4-yl)-6-methylbenzamide

2-chloro-N-(9-hydroxy-6,7,8,9-tetrahydrodibenzofuran-4-yl)-6-methylbenzamide (PubChem CID 54033825) has the molecular formula C20H18ClNO3 and a molecular weight of 355.82 g/mol. Its IUPAC name is 2-chloro-N-(9-hydroxy-6,7,8,9-tetrahydrodibenzofuran-4-yl)-6-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(9-hydroxy-6,7,8,9-tetrahydrodibenzofuran-4-yl)-6-methylbenzamide
PubChem CID54033825
Molecular FormulaC20H18ClNO3
Molecular Weight355.82 g/mol
Exact Mass355.10
IUPAC Name2-chloro-N-(9-hydroxy-6,7,8,9-tetrahydrodibenzofuran-4-yl)-6-methylbenzamide
SMILESCc1cccc(Cl)c1C(=O)Nc1cccc2c3c(oc12)CCCC3O
InChIInChI=1S/C20H18ClNO3/c1-11-5-2-7-13(21)17(11)20(24)22-14-8-3-6-12-18-15(23)9-4-10-16(18)25-19(12)14/h2-3,5-8,15,23H,4,9-10H2,1H3,(H,22,24)
InChIKeyLHNHYGYNWWWRGF-UHFFFAOYSA-N
XLogP5.02
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.82
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dichloro-3-[[2-(dimethylamino)acetyl]amino]-N-(6,7,8,9-tetrahydrodibenzofuran-4-yl)benzamide
CID 70199710
2,6-dichloro-N-(2-methyl-3-pyridin-2-yl-1-benzofuran-7-yl)benzamide
CID 70201545
2-methyl-N-naphthalen-1-yl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide
CID 596163
N-[3-(2-amino-2-oxoethyl)-2-methyl-1-benzofuran-7-yl]-2,6-dichlorobenzamide
CID 139721678
2-amino-N-(2-chlorophenyl)-6-methylbenzamide
CID 16785685
5-chloro-N-(2-methylphenyl)naphthalene-1-carboxamide
CID 17101827
2,4,6-trichloro-N-(2,3-dimethyl-1-benzofuran-7-yl)benzamide
CID 70200090
[7-[(2,6-dichlorobenzoyl)amino]-2-methyl-1-benzofuran-3-yl]methyl acetate
CID 70198733
2,6-dichloro-3-[(dimethylamino)methyl]-N-(2,3-dimethyl-1-benzofuran-7-yl)benzamide
CID 70201589
2,6-dichloro-N-(2-chloro-6-methylphenyl)benzamide
CID 4548334
2,6-dichloro-N-[2-methyl-3-(2-pyridin-2-ylethyl)-1-benzofuran-7-yl]benzamide
CID 139721707
2-chloro-6-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide
CID 91841478

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(9-hydroxy-6,7,8,9-tetrahydrodibenzofuran-4-yl)-6-methylbenzamide?
The IUPAC name of 2-chloro-N-(9-hydroxy-6,7,8,9-tetrahydrodibenzofuran-4-yl)-6-methylbenzamide (CID 54033825) is 2-chloro-N-(9-hydroxy-6,7,8,9-tetrahydrodibenzofuran-4-yl)-6-methylbenzamide.
What is the SMILES notation for 2-chloro-N-(9-hydroxy-6,7,8,9-tetrahydrodibenzofuran-4-yl)-6-methylbenzamide?
The canonical SMILES for 2-chloro-N-(9-hydroxy-6,7,8,9-tetrahydrodibenzofuran-4-yl)-6-methylbenzamide is Cc1cccc(Cl)c1C(=O)Nc1cccc2c3c(oc12)CCCC3O.
What is the InChIKey of 2-chloro-N-(9-hydroxy-6,7,8,9-tetrahydrodibenzofuran-4-yl)-6-methylbenzamide?
The InChIKey is LHNHYGYNWWWRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO3/c1-11-5-2-7-13(21)17(11)20(24)22-14-8-3-6-12-18-15(23)9-4-10-16(18)25-19(12)14/h2-3,5-8,15,23H,4,9-10H2,1H3,(H,22,24).
What are the key properties of 2-chloro-N-(9-hydroxy-6,7,8,9-tetrahydrodibenzofuran-4-yl)-6-methylbenzamide?
2-chloro-N-(9-hydroxy-6,7,8,9-tetrahydrodibenzofuran-4-yl)-6-methylbenzamide has a molecular weight of 355.82 g/mol, XLogP of 5.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(9-hydroxy-6,7,8,9-tetrahydrodibenzofuran-4-yl)-6-methylbenzamide is sourced from PubChem (CID 54033825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).