7-chloro-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-4-methyl-1-benzofuran-2-carboxamide

C19H17ClN2O5 — CID 87108864

IUPAC7-chloro-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-4-methyl-1-benzofuran-2-carboxamide
SMILESCc1ccc(Cl)c2oc(C(=O)NCCOc3ccc(C(=O)NO)cc3)cc12
InChIInChI=1S/C19H17ClN2O5/c1-11-2-7-15(20)17-14(11)10-16(27-17)19(24)21-8-9-26-13-5-3-12(4-6-13)18(23)22-25/h2-7,10,25H,8-9H2,1H3,(H,21,24)(H,22,23)
InChIKeyYSMXHWKTLPPEQL-UHFFFAOYSA-N
MW388.81 g/mol
LogP3.32
Rot. Bonds6

About 7-chloro-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-4-methyl-1-benzofuran-2-carboxamide

7-chloro-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-4-methyl-1-benzofuran-2-carboxamide (PubChem CID 87108864) has the molecular formula C19H17ClN2O5 and a molecular weight of 388.81 g/mol. Its IUPAC name is 7-chloro-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-4-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-4-methyl-1-benzofuran-2-carboxamide
PubChem CID87108864
Molecular FormulaC19H17ClN2O5
Molecular Weight388.81 g/mol
Exact Mass388.08
IUPAC Name7-chloro-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-4-methyl-1-benzofuran-2-carboxamide
SMILESCc1ccc(Cl)c2oc(C(=O)NCCOc3ccc(C(=O)NO)cc3)cc12
InChIInChI=1S/C19H17ClN2O5/c1-11-2-7-15(20)17-14(11)10-16(27-17)19(24)21-8-9-26-13-5-3-12(4-6-13)18(23)22-25/h2-7,10,25H,8-9H2,1H3,(H,21,24)(H,22,23)
InChIKeyYSMXHWKTLPPEQL-UHFFFAOYSA-N
XLogP3.32
TPSA100.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.81
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-chloro-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-4-methyl-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-hydroxy-4-[2-(methylamino)ethoxy]benzamide
CID 87613285
ethyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate
CID 14097624
N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-4-methoxynaphthalene-2-carboxamide
CID 11164885
4-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 2292601
5-bromo-N-[2-(4-methylphenoxy)ethyl]furan-2-carboxamide
CID 18113432
5-chloro-N-[2-(3-methylphenoxy)ethyl]furan-2-carboxamide
CID 32754386
methyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate
CID 14097617
3-[(dimethylamino)methyl]-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-1-benzofuran-2-carboxamide
CID 11749858
3-[(dimethylamino)methyl]-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-1-benzofuran-2-carboxamide;methane
CID 159274996
3-chloro-N-[2-(4-chloro-3-methylphenoxy)ethyl]benzamide
CID 113102716
N-[2-[(4-propoxybenzoyl)amino]ethyl]-1-benzofuran-2-carboxamide
CID 71480810
4-methoxy-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzamide
CID 113101108

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-4-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 7-chloro-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-4-methyl-1-benzofuran-2-carboxamide (CID 87108864) is 7-chloro-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-4-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-chloro-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-4-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-chloro-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-4-methyl-1-benzofuran-2-carboxamide is Cc1ccc(Cl)c2oc(C(=O)NCCOc3ccc(C(=O)NO)cc3)cc12.
What is the InChIKey of 7-chloro-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-4-methyl-1-benzofuran-2-carboxamide?
The InChIKey is YSMXHWKTLPPEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O5/c1-11-2-7-15(20)17-14(11)10-16(27-17)19(24)21-8-9-26-13-5-3-12(4-6-13)18(23)22-25/h2-7,10,25H,8-9H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 7-chloro-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-4-methyl-1-benzofuran-2-carboxamide?
7-chloro-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-4-methyl-1-benzofuran-2-carboxamide has a molecular weight of 388.81 g/mol, XLogP of 3.32, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-4-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 87108864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).