N-(2-butoxyphenyl)-5-chloro-1-benzofuran-2-carboxamide

C19H18ClNO3 — CID 19240940

IUPACN-(2-butoxyphenyl)-5-chloro-1-benzofuran-2-carboxamide
SMILESCCCCOc1ccccc1NC(=O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C19H18ClNO3/c1-2-3-10-23-17-7-5-4-6-15(17)21-19(22)18-12-13-11-14(20)8-9-16(13)24-18/h4-9,11-12H,2-3,10H2,1H3,(H,21,22)
InChIKeyXAHLIOBNZNKZQP-UHFFFAOYSA-N
MW343.81 g/mol
LogP5.52
Rot. Bonds6

About N-(2-butoxyphenyl)-5-chloro-1-benzofuran-2-carboxamide

N-(2-butoxyphenyl)-5-chloro-1-benzofuran-2-carboxamide (PubChem CID 19240940) has the molecular formula C19H18ClNO3 and a molecular weight of 343.81 g/mol. Its IUPAC name is N-(2-butoxyphenyl)-5-chloro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-butoxyphenyl)-5-chloro-1-benzofuran-2-carboxamide
PubChem CID19240940
Molecular FormulaC19H18ClNO3
Molecular Weight343.81 g/mol
Exact Mass343.10
IUPAC NameN-(2-butoxyphenyl)-5-chloro-1-benzofuran-2-carboxamide
SMILESCCCCOc1ccccc1NC(=O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C19H18ClNO3/c1-2-3-10-23-17-7-5-4-6-15(17)21-19(22)18-12-13-11-14(20)8-9-16(13)24-18/h4-9,11-12H,2-3,10H2,1H3,(H,21,22)
InChIKeyXAHLIOBNZNKZQP-UHFFFAOYSA-N
XLogP5.52
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.81
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide
CID 9138991
6-chloro-N-[2-[4-[2-[(6-chloro-2-iminochromene-3-carbonyl)amino]phenoxy]butoxy]phenyl]-2-iminochromene-3-carboxamide
CID 15467298
5-chloro-N-(4-chloro-2-methylphenyl)-1-benzofuran-2-carboxamide
CID 9138973
1-N,4-N-bis(2-butoxyphenyl)benzene-1,4-dicarboxamide
CID 17087319
5-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 19240981
propyl 4-[(5-chloro-1-benzofuran-2-carbonyl)amino]benzoate
CID 19240947
3-(3-aminopropoxy)-N-(2-butoxy-4-chlorophenyl)naphthalene-2-carboxamide
CID 90944531
1,3-bis(2-butoxyphenyl)urea
CID 17170447
5-[(2-butoxy-5-chlorophenyl)methyl]-N-(2-fluorophenyl)furan-2-carboxamide
CID 71051932
N-(2-bromophenyl)-5-[(2-butoxy-5-chlorophenyl)methyl]furan-2-carboxamide
CID 71051921
5-chloro-N-(2,6-difluorophenyl)-1-benzofuran-2-carboxamide
CID 51217226
5-chloro-N-(3,5-dichlorophenyl)-1-benzofuran-2-carboxamide
CID 19240955

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyphenyl)-5-chloro-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-butoxyphenyl)-5-chloro-1-benzofuran-2-carboxamide (CID 19240940) is N-(2-butoxyphenyl)-5-chloro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-butoxyphenyl)-5-chloro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-butoxyphenyl)-5-chloro-1-benzofuran-2-carboxamide is CCCCOc1ccccc1NC(=O)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of N-(2-butoxyphenyl)-5-chloro-1-benzofuran-2-carboxamide?
The InChIKey is XAHLIOBNZNKZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO3/c1-2-3-10-23-17-7-5-4-6-15(17)21-19(22)18-12-13-11-14(20)8-9-16(13)24-18/h4-9,11-12H,2-3,10H2,1H3,(H,21,22).
What are the key properties of N-(2-butoxyphenyl)-5-chloro-1-benzofuran-2-carboxamide?
N-(2-butoxyphenyl)-5-chloro-1-benzofuran-2-carboxamide has a molecular weight of 343.81 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyphenyl)-5-chloro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 19240940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).