2-chloro-N-methoxy-4-[[2-(methoxymethyl)-1-benzofuran-7-yl]oxy]-N-methylbenzamide

C19H18ClNO5 — CID 164580605

IUPAC2-chloro-N-methoxy-4-[[2-(methoxymethyl)-1-benzofuran-7-yl]oxy]-N-methylbenzamide
SMILESCOCc1cc2cccc(Oc3ccc(C(=O)N(C)OC)c(Cl)c3)c2o1
InChIInChI=1S/C19H18ClNO5/c1-21(24-3)19(22)15-8-7-13(10-16(15)20)25-17-6-4-5-12-9-14(11-23-2)26-18(12)17/h4-10H,11H2,1-3H3
InChIKeyOYAFNVSDZNEMNB-UHFFFAOYSA-N
MW375.81 g/mol
LogP4.66
Rot. Bonds6

About 2-chloro-N-methoxy-4-[[2-(methoxymethyl)-1-benzofuran-7-yl]oxy]-N-methylbenzamide

2-chloro-N-methoxy-4-[[2-(methoxymethyl)-1-benzofuran-7-yl]oxy]-N-methylbenzamide (PubChem CID 164580605) has the molecular formula C19H18ClNO5 and a molecular weight of 375.81 g/mol. Its IUPAC name is 2-chloro-N-methoxy-4-[[2-(methoxymethyl)-1-benzofuran-7-yl]oxy]-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-methoxy-4-[[2-(methoxymethyl)-1-benzofuran-7-yl]oxy]-N-methylbenzamide
PubChem CID164580605
Molecular FormulaC19H18ClNO5
Molecular Weight375.81 g/mol
Exact Mass375.09
IUPAC Name2-chloro-N-methoxy-4-[[2-(methoxymethyl)-1-benzofuran-7-yl]oxy]-N-methylbenzamide
SMILESCOCc1cc2cccc(Oc3ccc(C(=O)N(C)OC)c(Cl)c3)c2o1
InChIInChI=1S/C19H18ClNO5/c1-21(24-3)19(22)15-8-7-13(10-16(15)20)25-17-6-4-5-12-9-14(11-23-2)26-18(12)17/h4-10H,11H2,1-3H3
InChIKeyOYAFNVSDZNEMNB-UHFFFAOYSA-N
XLogP4.66
TPSA61.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.81
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-chloro-4-[[2-(methoxymethyl)-1-benzofuran-7-yl]oxy]benzoate
CID 164580543
2-chloro-4-[[2-(fluoromethyl)-1-benzofuran-7-yl]oxy]benzoic acid
CID 164580629
[2-chloro-4-[(2-ethyl-1-benzofuran-7-yl)oxy]phenyl]-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone
CID 164580695
4-[[2-(hydroxymethyl)-1-benzofuran-7-yl]oxy]phenol
CID 22889023
7-methoxy-N-[(4-methoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide
CID 124505008
2,3-dihydroxy-N-methoxy-N-methylbenzamide
CID 114344880
(2,4-dichlorophenyl)-(7-methoxy-1-benzofuran-2-yl)methanone
CID 1480056
2-chloro-4-(2-chlorophenoxy)benzoic acid
CID 62946411
2-chloro-N-methoxy-3,4-bis[(4-methoxyphenyl)methoxy]-N-methylbenzamide
CID 118460229
[2-chloro-4-[[2-(fluoromethyl)-1-benzofuran-7-yl]oxy]phenyl]-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone
CID 164580654
7-[(7-methoxy-1-benzofuran-2-yl)methoxy]-4-methylchromen-2-one
CID 59603185
2-hydroxy-4-iodo-N-methoxy-N-methylbenzamide
CID 135067027

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methoxy-4-[[2-(methoxymethyl)-1-benzofuran-7-yl]oxy]-N-methylbenzamide?
The IUPAC name of 2-chloro-N-methoxy-4-[[2-(methoxymethyl)-1-benzofuran-7-yl]oxy]-N-methylbenzamide (CID 164580605) is 2-chloro-N-methoxy-4-[[2-(methoxymethyl)-1-benzofuran-7-yl]oxy]-N-methylbenzamide.
What is the SMILES notation for 2-chloro-N-methoxy-4-[[2-(methoxymethyl)-1-benzofuran-7-yl]oxy]-N-methylbenzamide?
The canonical SMILES for 2-chloro-N-methoxy-4-[[2-(methoxymethyl)-1-benzofuran-7-yl]oxy]-N-methylbenzamide is COCc1cc2cccc(Oc3ccc(C(=O)N(C)OC)c(Cl)c3)c2o1.
What is the InChIKey of 2-chloro-N-methoxy-4-[[2-(methoxymethyl)-1-benzofuran-7-yl]oxy]-N-methylbenzamide?
The InChIKey is OYAFNVSDZNEMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO5/c1-21(24-3)19(22)15-8-7-13(10-16(15)20)25-17-6-4-5-12-9-14(11-23-2)26-18(12)17/h4-10H,11H2,1-3H3.
What are the key properties of 2-chloro-N-methoxy-4-[[2-(methoxymethyl)-1-benzofuran-7-yl]oxy]-N-methylbenzamide?
2-chloro-N-methoxy-4-[[2-(methoxymethyl)-1-benzofuran-7-yl]oxy]-N-methylbenzamide has a molecular weight of 375.81 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methoxy-4-[[2-(methoxymethyl)-1-benzofuran-7-yl]oxy]-N-methylbenzamide is sourced from PubChem (CID 164580605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).