2-amino-5-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide

C16H15ClN2O2 — CID 61140365

IUPAC2-amino-5-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
SMILESNc1ccc(Cl)cc1C(=O)NCC1Cc2ccccc2O1
InChIInChI=1S/C16H15ClN2O2/c17-11-5-6-14(18)13(8-11)16(20)19-9-12-7-10-3-1-2-4-15(10)21-12/h1-6,8,12H,7,9,18H2,(H,19,20)
InChIKeyFYAWZLFQKYDZCU-UHFFFAOYSA-N
MW302.76 g/mol
LogP2.66
Rot. Bonds3

About 2-amino-5-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide

2-amino-5-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide (PubChem CID 61140365) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 2-amino-5-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
PubChem CID61140365
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name2-amino-5-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
SMILESNc1ccc(Cl)cc1C(=O)NCC1Cc2ccccc2O1
InChIInChI=1S/C16H15ClN2O2/c17-11-5-6-14(18)13(8-11)16(20)19-9-12-7-10-3-1-2-4-15(10)21-12/h1-6,8,12H,7,9,18H2,(H,19,20)
InChIKeyFYAWZLFQKYDZCU-UHFFFAOYSA-N
XLogP2.66
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)furan-2-carboxamide
CID 46400999
2-amino-5-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-3-carboxamide
CID 62232676
3,5-dibromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
CID 107980334
4-chloro-1-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzene-1,2-diamine
CID 62233370
2-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-fluorobenzamide
CID 115678361
4-bromo-5-chloro-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-methylpyridine-3-carboxamide
CID 97065065
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-fluoro-3-methylbenzamide
CID 80710892
4-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-2-carboxamide
CID 62232678
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-hydroxy-3-nitrobenzamide
CID 99628312
3-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
CID 61003695
4-bromo-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1H-pyrrole-2-carboxamide
CID 51891597
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 37294905

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide?
The IUPAC name of 2-amino-5-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide (CID 61140365) is 2-amino-5-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide.
What is the SMILES notation for 2-amino-5-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide?
The canonical SMILES for 2-amino-5-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide is Nc1ccc(Cl)cc1C(=O)NCC1Cc2ccccc2O1.
What is the InChIKey of 2-amino-5-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide?
The InChIKey is FYAWZLFQKYDZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c17-11-5-6-14(18)13(8-11)16(20)19-9-12-7-10-3-1-2-4-15(10)21-12/h1-6,8,12H,7,9,18H2,(H,19,20).
What are the key properties of 2-amino-5-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide?
2-amino-5-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide has a molecular weight of 302.76 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide is sourced from PubChem (CID 61140365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).