2-(4-chloroanilino)-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide

C16H15ClN2O2 — CID 60995769

IUPAC2-(4-chloroanilino)-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide
SMILESNC(=O)C(Nc1ccc(Cl)cc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H15ClN2O2/c17-12-2-4-13(5-3-12)19-15(16(18)20)11-1-6-14-10(9-11)7-8-21-14/h1-6,9,15,19H,7-8H2,(H2,18,20)
InChIKeyKYJHSDYSMILIDS-UHFFFAOYSA-N
MW302.76 g/mol
LogP2.91
Rot. Bonds4

About 2-(4-chloroanilino)-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide

2-(4-chloroanilino)-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide (PubChem CID 60995769) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 2-(4-chloroanilino)-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloroanilino)-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide
PubChem CID60995769
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name2-(4-chloroanilino)-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide
SMILESNC(=O)C(Nc1ccc(Cl)cc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H15ClN2O2/c17-12-2-4-13(5-3-12)19-15(16(18)20)11-1-6-14-10(9-11)7-8-21-14/h1-6,9,15,19H,7-8H2,(H2,18,20)
InChIKeyKYJHSDYSMILIDS-UHFFFAOYSA-N
XLogP2.91
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2,3-dihydro-1-benzofuran-5-ylamino)-2-phenylacetamide
CID 35626827
2-anilino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 61005480
2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyacetamide
CID 62225836
2-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)acetamide
CID 62541518
2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]propanamide
CID 43777118
(2S)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 66510589
(2R)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 93297974
(3,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61100429
2-(4-chlorophenoxy)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2-methylpropanamide
CID 71803461
(5-chloro-2-pyridinyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 104542750
N'-(3-chloro-4-fluorophenyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]oxamide
CID 71803503
methyl 3-(2,3-dihydro-1-benzofuran-5-yl)-2,3-dihydroxypropanoate
CID 171864210

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide?
The IUPAC name of 2-(4-chloroanilino)-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide (CID 60995769) is 2-(4-chloroanilino)-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide.
What is the SMILES notation for 2-(4-chloroanilino)-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide?
The canonical SMILES for 2-(4-chloroanilino)-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide is NC(=O)C(Nc1ccc(Cl)cc1)c1ccc2c(c1)CCO2.
What is the InChIKey of 2-(4-chloroanilino)-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide?
The InChIKey is KYJHSDYSMILIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c17-12-2-4-13(5-3-12)19-15(16(18)20)11-1-6-14-10(9-11)7-8-21-14/h1-6,9,15,19H,7-8H2,(H2,18,20).
What are the key properties of 2-(4-chloroanilino)-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide?
2-(4-chloroanilino)-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide has a molecular weight of 302.76 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide is sourced from PubChem (CID 60995769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).