2-(furan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide;hydrochloride

C17H18ClN3O2 — CID 6602692

IUPAC2-(furan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide;hydrochloride
SMILESCl.O=C(CNCc1ccco1)Nc1ccccc1-n1cccc1
InChIInChI=1S/C17H17N3O2.ClH/c21-17(13-18-12-14-6-5-11-22-14)19-15-7-1-2-8-16(15)20-9-3-4-10-20;/h1-11,18H,12-13H2,(H,19,21);1H
InChIKeyXTDUGLTWLDNJBT-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.22
Rot. Bonds6

About 2-(furan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide;hydrochloride

2-(furan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide;hydrochloride (PubChem CID 6602692) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 2-(furan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(furan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide;hydrochloride
PubChem CID6602692
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name2-(furan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide;hydrochloride
SMILESCl.O=C(CNCc1ccco1)Nc1ccccc1-n1cccc1
InChIInChI=1S/C17H17N3O2.ClH/c21-17(13-18-12-14-6-5-11-22-14)19-15-7-1-2-8-16(15)20-9-3-4-10-20;/h1-11,18H,12-13H2,(H,19,21);1H
InChIKeyXTDUGLTWLDNJBT-UHFFFAOYSA-N
XLogP3.22
TPSA59.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 60544041
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CID 66507488
N-benzyl-2-(furan-2-ylmethylamino)acetamide
CID 43084380
N-benzhydryl-2-(furan-2-ylmethylamino)acetamide
CID 1459234
2-(furan-2-ylmethylamino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
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CID 54818705

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-(furan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide;hydrochloride (CID 6602692) is 2-(furan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(furan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-(furan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide;hydrochloride is Cl.O=C(CNCc1ccco1)Nc1ccccc1-n1cccc1.
What is the InChIKey of 2-(furan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide;hydrochloride?
The InChIKey is XTDUGLTWLDNJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2.ClH/c21-17(13-18-12-14-6-5-11-22-14)19-15-7-1-2-8-16(15)20-9-3-4-10-20;/h1-11,18H,12-13H2,(H,19,21);1H.
What are the key properties of 2-(furan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide;hydrochloride?
2-(furan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide;hydrochloride has a molecular weight of 331.80 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 6602692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).