(3-amino-5-chloro-1-benzofuran-2-yl)-(2-ethoxyphenyl)methanone

C17H14ClNO3 — CID 58707366

IUPAC(3-amino-5-chloro-1-benzofuran-2-yl)-(2-ethoxyphenyl)methanone
SMILESCCOc1ccccc1C(=O)c1oc2ccc(Cl)cc2c1N
InChIInChI=1S/C17H14ClNO3/c1-2-21-13-6-4-3-5-11(13)16(20)17-15(19)12-9-10(18)7-8-14(12)22-17/h3-9H,2,19H2,1H3
InChIKeyOFUBXZZKTPHGCY-UHFFFAOYSA-N
MW315.76 g/mol
LogP4.30
Rot. Bonds4

About (3-amino-5-chloro-1-benzofuran-2-yl)-(2-ethoxyphenyl)methanone

(3-amino-5-chloro-1-benzofuran-2-yl)-(2-ethoxyphenyl)methanone (PubChem CID 58707366) has the molecular formula C17H14ClNO3 and a molecular weight of 315.76 g/mol. Its IUPAC name is (3-amino-5-chloro-1-benzofuran-2-yl)-(2-ethoxyphenyl)methanone.

Molecular Properties

Compound Name(3-amino-5-chloro-1-benzofuran-2-yl)-(2-ethoxyphenyl)methanone
PubChem CID58707366
Molecular FormulaC17H14ClNO3
Molecular Weight315.76 g/mol
Exact Mass315.07
IUPAC Name(3-amino-5-chloro-1-benzofuran-2-yl)-(2-ethoxyphenyl)methanone
SMILESCCOc1ccccc1C(=O)c1oc2ccc(Cl)cc2c1N
InChIInChI=1S/C17H14ClNO3/c1-2-21-13-6-4-3-5-11(13)16(20)17-15(19)12-9-10(18)7-8-14(12)22-17/h3-9H,2,19H2,1H3
InChIKeyOFUBXZZKTPHGCY-UHFFFAOYSA-N
XLogP4.30
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-chloro-2-methoxyphenyl)-(2-ethoxyphenyl)methanone
CID 79020316
(2-ethoxyphenyl)methyl 6-chloro-4-oxochromene-2-carboxylate
CID 8877344
(2,5-dichlorothiophen-3-yl)-(2-ethoxyphenyl)methanone
CID 43344791
ethyl (2S)-2-(2-benzoyl-5-chloro-1-benzofuran-3-yl)propanoate
CID 122484797
2-amino-1-(2-ethoxyphenyl)butan-1-one
CID 116583912
N-dibenzofuran-2-yl-2-ethoxybenzamide
CID 16552367
4-chloro-N-[2-(3-chloro-4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 18829839
4-chloro-2-ethoxybenzamide
CID 126998915
[2-(2-ethoxybenzoyl)phenyl] hydrogen carbonate
CID 174463979
5-chloro-2-[2-(2-ethoxyphenoxy)ethoxy]benzenecarbothioamide
CID 20993126
(4-bromo-2,6-difluorophenyl)-(2-ethoxyphenyl)methanone
CID 114971145
3-[(2-ethoxybenzoyl)amino]-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide
CID 20875259

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-chloro-1-benzofuran-2-yl)-(2-ethoxyphenyl)methanone?
The IUPAC name of (3-amino-5-chloro-1-benzofuran-2-yl)-(2-ethoxyphenyl)methanone (CID 58707366) is (3-amino-5-chloro-1-benzofuran-2-yl)-(2-ethoxyphenyl)methanone.
What is the SMILES notation for (3-amino-5-chloro-1-benzofuran-2-yl)-(2-ethoxyphenyl)methanone?
The canonical SMILES for (3-amino-5-chloro-1-benzofuran-2-yl)-(2-ethoxyphenyl)methanone is CCOc1ccccc1C(=O)c1oc2ccc(Cl)cc2c1N.
What is the InChIKey of (3-amino-5-chloro-1-benzofuran-2-yl)-(2-ethoxyphenyl)methanone?
The InChIKey is OFUBXZZKTPHGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO3/c1-2-21-13-6-4-3-5-11(13)16(20)17-15(19)12-9-10(18)7-8-14(12)22-17/h3-9H,2,19H2,1H3.
What are the key properties of (3-amino-5-chloro-1-benzofuran-2-yl)-(2-ethoxyphenyl)methanone?
(3-amino-5-chloro-1-benzofuran-2-yl)-(2-ethoxyphenyl)methanone has a molecular weight of 315.76 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-chloro-1-benzofuran-2-yl)-(2-ethoxyphenyl)methanone is sourced from PubChem (CID 58707366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).