5-chloro-3-(3-phenoxyanilino)-1-benzofuran-2-carboxamide

C21H15ClN2O3 — CID 143084360

IUPAC5-chloro-3-(3-phenoxyanilino)-1-benzofuran-2-carboxamide
SMILESNC(=O)c1oc2ccc(Cl)cc2c1Nc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C21H15ClN2O3/c22-13-9-10-18-17(11-13)19(20(27-18)21(23)25)24-14-5-4-8-16(12-14)26-15-6-2-1-3-7-15/h1-12,24H,(H2,23,25)
InChIKeyFVVQQHVMXLPJBS-UHFFFAOYSA-N
MW378.82 g/mol
LogP5.72
Rot. Bonds5

About 5-chloro-3-(3-phenoxyanilino)-1-benzofuran-2-carboxamide

5-chloro-3-(3-phenoxyanilino)-1-benzofuran-2-carboxamide (PubChem CID 143084360) has the molecular formula C21H15ClN2O3 and a molecular weight of 378.82 g/mol. Its IUPAC name is 5-chloro-3-(3-phenoxyanilino)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-(3-phenoxyanilino)-1-benzofuran-2-carboxamide
PubChem CID143084360
Molecular FormulaC21H15ClN2O3
Molecular Weight378.82 g/mol
Exact Mass378.08
IUPAC Name5-chloro-3-(3-phenoxyanilino)-1-benzofuran-2-carboxamide
SMILESNC(=O)c1oc2ccc(Cl)cc2c1Nc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C21H15ClN2O3/c22-13-9-10-18-17(11-13)19(20(27-18)21(23)25)24-14-5-4-8-16(12-14)26-15-6-2-1-3-7-15/h1-12,24H,(H2,23,25)
InChIKeyFVVQQHVMXLPJBS-UHFFFAOYSA-N
XLogP5.72
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.82
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzamido-5-chloro-1-benzofuran-2-carboxamide
CID 19661939
5-chloro-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 7992434
3-[(4-chlorobenzoyl)amino]-1-benzofuran-2-carboxamide
CID 587379
[1-[(2-carbamoyl-5-chloro-1-benzofuran-3-yl)amino]-2-methyl-1-oxopropan-2-yl]-(9H-fluoren-9-ylmethyl)carbamic acid
CID 67186433
5-chloro-3-[(2-morpholin-4-ylacetyl)amino]-1-benzofuran-2-carboxamide;hydrochloride
CID 90485107
3,5-dichloro-1-benzofuran-2-carboxylic acid
CID 124505874
N'-(3-chlorophenyl)-N-(4-phenoxyphenyl)oxamide
CID 44996265
3-acetamido-5-chloro-1-benzofuran-2-carboxylate
CID 6949708
(3R)-N-(2-carbamoyl-5-chloro-1-benzofuran-3-yl)-3-morpholin-4-ylpyrrolidine-1-carboxamide
CID 11964121
5-(chloromethyl)-N-(3-phenoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 106957175
(2S,4S)-1-tert-butyl-N-(2-carbamoyl-5-chloro-1-benzofuran-3-yl)-4-hydroxypyrrolidine-2-carboxamide
CID 68983003
5-bromo-N-(5-chloro-2-phenoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 4543107

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(3-phenoxyanilino)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-3-(3-phenoxyanilino)-1-benzofuran-2-carboxamide (CID 143084360) is 5-chloro-3-(3-phenoxyanilino)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-3-(3-phenoxyanilino)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-3-(3-phenoxyanilino)-1-benzofuran-2-carboxamide is NC(=O)c1oc2ccc(Cl)cc2c1Nc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 5-chloro-3-(3-phenoxyanilino)-1-benzofuran-2-carboxamide?
The InChIKey is FVVQQHVMXLPJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O3/c22-13-9-10-18-17(11-13)19(20(27-18)21(23)25)24-14-5-4-8-16(12-14)26-15-6-2-1-3-7-15/h1-12,24H,(H2,23,25).
What are the key properties of 5-chloro-3-(3-phenoxyanilino)-1-benzofuran-2-carboxamide?
5-chloro-3-(3-phenoxyanilino)-1-benzofuran-2-carboxamide has a molecular weight of 378.82 g/mol, XLogP of 5.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(3-phenoxyanilino)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 143084360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).