1-(1-benzofuran-2-yl)-2-(3-chloro-4-methoxyanilino)ethanone

C17H14ClNO3 — CID 110824301

IUPAC1-(1-benzofuran-2-yl)-2-(3-chloro-4-methoxyanilino)ethanone
SMILESCOc1ccc(NCC(=O)c2cc3ccccc3o2)cc1Cl
InChIInChI=1S/C17H14ClNO3/c1-21-16-7-6-12(9-13(16)18)19-10-14(20)17-8-11-4-2-3-5-15(11)22-17/h2-9,19H,10H2,1H3
InChIKeyKIGZZWZIJCDNRS-UHFFFAOYSA-N
MW315.76 g/mol
LogP4.39
Rot. Bonds5

About 1-(1-benzofuran-2-yl)-2-(3-chloro-4-methoxyanilino)ethanone

1-(1-benzofuran-2-yl)-2-(3-chloro-4-methoxyanilino)ethanone (PubChem CID 110824301) has the molecular formula C17H14ClNO3 and a molecular weight of 315.76 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-(3-chloro-4-methoxyanilino)ethanone.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-(3-chloro-4-methoxyanilino)ethanone
PubChem CID110824301
Molecular FormulaC17H14ClNO3
Molecular Weight315.76 g/mol
Exact Mass315.07
IUPAC Name1-(1-benzofuran-2-yl)-2-(3-chloro-4-methoxyanilino)ethanone
SMILESCOc1ccc(NCC(=O)c2cc3ccccc3o2)cc1Cl
InChIInChI=1S/C17H14ClNO3/c1-21-16-7-6-12(9-13(16)18)19-10-14(20)17-8-11-4-2-3-5-15(11)22-17/h2-9,19H,10H2,1H3
InChIKeyKIGZZWZIJCDNRS-UHFFFAOYSA-N
XLogP4.39
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(1-benzofuran-2-yl)-2-(3,4-dichloroanilino)ethanone
CID 110824293
N-[(3-chloro-4-methoxyphenyl)carbamothioyl]-1-benzofuran-2-carboxamide
CID 1342731
2-(3-chloro-4-methoxyanilino)-1-(3-chloro-4-methoxyphenyl)ethanone
CID 110823882
N-(5-chloro-2,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 7751403
1-(1-benzofuran-2-yl)-2-(methylamino)ethanone;ethane
CID 171632781
1-(1-benzofuran-2-yl)-2-[4-(1,3-benzoxazol-2-yl)anilino]ethanone
CID 110828616
3-chloro-N-(2-chloroprop-2-enyl)-4-methoxyaniline
CID 60680786
N-(4-methoxy-3-sulfamoylphenyl)-1-benzofuran-2-carboxamide
CID 26929619
2-(3-chloro-4-methoxyanilino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
CID 110823924
2-[4-(azepan-1-ylsulfonyl)anilino]-1-(1-benzofuran-2-yl)ethanone
CID 110828562
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109008835
1-(1-benzofuran-2-yl)-2-(2-chlorophenoxy)ethanone
CID 7816108

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-(3-chloro-4-methoxyanilino)ethanone?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-(3-chloro-4-methoxyanilino)ethanone (CID 110824301) is 1-(1-benzofuran-2-yl)-2-(3-chloro-4-methoxyanilino)ethanone.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-(3-chloro-4-methoxyanilino)ethanone?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-(3-chloro-4-methoxyanilino)ethanone is COc1ccc(NCC(=O)c2cc3ccccc3o2)cc1Cl.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-(3-chloro-4-methoxyanilino)ethanone?
The InChIKey is KIGZZWZIJCDNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO3/c1-21-16-7-6-12(9-13(16)18)19-10-14(20)17-8-11-4-2-3-5-15(11)22-17/h2-9,19H,10H2,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-2-(3-chloro-4-methoxyanilino)ethanone?
1-(1-benzofuran-2-yl)-2-(3-chloro-4-methoxyanilino)ethanone has a molecular weight of 315.76 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-(3-chloro-4-methoxyanilino)ethanone is sourced from PubChem (CID 110824301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).