N-[(4-chlorophenyl)methyl]-2-(5-ethyl-1-benzofuran-3-yl)-N-(furan-2-ylmethyl)acetamide

C24H22ClNO3 — CID 18861228

IUPACN-[(4-chlorophenyl)methyl]-2-(5-ethyl-1-benzofuran-3-yl)-N-(furan-2-ylmethyl)acetamide
SMILESCCc1ccc2occ(CC(=O)N(Cc3ccc(Cl)cc3)Cc3ccco3)c2c1
InChIInChI=1S/C24H22ClNO3/c1-2-17-7-10-23-22(12-17)19(16-29-23)13-24(27)26(15-21-4-3-11-28-21)14-18-5-8-20(25)9-6-18/h3-12,16H,2,13-15H2,1H3
InChIKeyIPNKVYMIXMSQDV-UHFFFAOYSA-N
MW407.90 g/mol
LogP6.01
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-2-(5-ethyl-1-benzofuran-3-yl)-N-(furan-2-ylmethyl)acetamide

N-[(4-chlorophenyl)methyl]-2-(5-ethyl-1-benzofuran-3-yl)-N-(furan-2-ylmethyl)acetamide (PubChem CID 18861228) has the molecular formula C24H22ClNO3 and a molecular weight of 407.90 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(5-ethyl-1-benzofuran-3-yl)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(5-ethyl-1-benzofuran-3-yl)-N-(furan-2-ylmethyl)acetamide
PubChem CID18861228
Molecular FormulaC24H22ClNO3
Molecular Weight407.90 g/mol
Exact Mass407.13
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(5-ethyl-1-benzofuran-3-yl)-N-(furan-2-ylmethyl)acetamide
SMILESCCc1ccc2occ(CC(=O)N(Cc3ccc(Cl)cc3)Cc3ccco3)c2c1
InChIInChI=1S/C24H22ClNO3/c1-2-17-7-10-23-22(12-17)19(16-29-23)13-24(27)26(15-21-4-3-11-28-21)14-18-5-8-20(25)9-6-18/h3-12,16H,2,13-15H2,1H3
InChIKeyIPNKVYMIXMSQDV-UHFFFAOYSA-N
XLogP6.01
TPSA46.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.90
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-2-(5-ethyl-1-benzofuran-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 18861229
N-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-2-(5-methyl-1-benzofuran-3-yl)acetamide
CID 2975752
N-benzyl-N-(furan-2-ylmethyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 37429418
2-(3,4-dichlorophenyl)-N,N-bis(furan-2-ylmethyl)acetamide
CID 112767070
2-(5-ethyl-1-benzofuran-3-yl)acetamide
CID 18872501
2-(4-chlorophenyl)sulfanyl-N,N-bis(furan-2-ylmethyl)acetamide
CID 112767047
N-benzyl-2-(5-ethyl-1-benzofuran-3-yl)-N-(4-methoxyphenyl)acetamide
CID 18861230
N-benzyl-N-(furan-2-ylmethyl)-2-naphthalen-1-ylacetamide
CID 18830847
N-[(2-chlorophenyl)methyl]-2-(5-ethyl-1-benzofuran-3-yl)acetamide
CID 18872463
1-[(4-chlorophenyl)methyl]-1-(furan-2-ylmethyl)-3-methylthiourea
CID 17369190
N,N-diethyl-2-(5-methyl-1-benzofuran-3-yl)acetamide
CID 110488649
6-ethyl-N-(furan-2-ylmethyl)-4-oxo-N-(thiophen-2-ylmethyl)chromene-2-carboxamide
CID 35181644

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(5-ethyl-1-benzofuran-3-yl)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(5-ethyl-1-benzofuran-3-yl)-N-(furan-2-ylmethyl)acetamide (CID 18861228) is N-[(4-chlorophenyl)methyl]-2-(5-ethyl-1-benzofuran-3-yl)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(5-ethyl-1-benzofuran-3-yl)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(5-ethyl-1-benzofuran-3-yl)-N-(furan-2-ylmethyl)acetamide is CCc1ccc2occ(CC(=O)N(Cc3ccc(Cl)cc3)Cc3ccco3)c2c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(5-ethyl-1-benzofuran-3-yl)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is IPNKVYMIXMSQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClNO3/c1-2-17-7-10-23-22(12-17)19(16-29-23)13-24(27)26(15-21-4-3-11-28-21)14-18-5-8-20(25)9-6-18/h3-12,16H,2,13-15H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(5-ethyl-1-benzofuran-3-yl)-N-(furan-2-ylmethyl)acetamide?
N-[(4-chlorophenyl)methyl]-2-(5-ethyl-1-benzofuran-3-yl)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 407.90 g/mol, XLogP of 6.01, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(5-ethyl-1-benzofuran-3-yl)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 18861228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).