2-[bis(furan-2-ylmethyl)amino]-N-(4-chloro-2-nitrophenyl)acetamide

C18H16ClN3O5 — CID 8841188

IUPAC2-[bis(furan-2-ylmethyl)amino]-N-(4-chloro-2-nitrophenyl)acetamide
SMILESO=C(CN(Cc1ccco1)Cc1ccco1)Nc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C18H16ClN3O5/c19-13-5-6-16(17(9-13)22(24)25)20-18(23)12-21(10-14-3-1-7-26-14)11-15-4-2-8-27-15/h1-9H,10-12H2,(H,20,23)
InChIKeyFJFQZFVOGHZICI-UHFFFAOYSA-N
MW389.80 g/mol
LogP4.08
Rot. Bonds8

About 2-[bis(furan-2-ylmethyl)amino]-N-(4-chloro-2-nitrophenyl)acetamide

2-[bis(furan-2-ylmethyl)amino]-N-(4-chloro-2-nitrophenyl)acetamide (PubChem CID 8841188) has the molecular formula C18H16ClN3O5 and a molecular weight of 389.80 g/mol. Its IUPAC name is 2-[bis(furan-2-ylmethyl)amino]-N-(4-chloro-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[bis(furan-2-ylmethyl)amino]-N-(4-chloro-2-nitrophenyl)acetamide
PubChem CID8841188
Molecular FormulaC18H16ClN3O5
Molecular Weight389.80 g/mol
Exact Mass389.08
IUPAC Name2-[bis(furan-2-ylmethyl)amino]-N-(4-chloro-2-nitrophenyl)acetamide
SMILESO=C(CN(Cc1ccco1)Cc1ccco1)Nc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C18H16ClN3O5/c19-13-5-6-16(17(9-13)22(24)25)20-18(23)12-21(10-14-3-1-7-26-14)11-15-4-2-8-27-15/h1-9H,10-12H2,(H,20,23)
InChIKeyFJFQZFVOGHZICI-UHFFFAOYSA-N
XLogP4.08
TPSA101.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.80
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[bis(furan-2-ylmethyl)amino]-N-(4-chloro-2-nitrophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-chloro-2-nitrophenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 9334177
2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 8677941
N-(4,5-dimethyl-2-nitrophenyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8677960
N-(4-chloro-2-methylphenyl)-2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]acetamide
CID 78821266
N-(4-chloro-2-nitrophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 9251343
2-[bis(furan-2-ylmethyl)amino]-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
CID 24568125
N-(4-chloro-2-nitrophenyl)-2-[2-hydroxypropyl(propan-2-yl)amino]acetamide
CID 111108098
2-[(1,1-dioxothiolan-3-yl)-(furan-2-ylmethyl)amino]-N-(4-methyl-2-nitrophenyl)acetamide
CID 42921555
N-(4-chloro-2-nitrophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
CID 9433855
N-(4-chlorophenyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8677854
N-(5-chloro-2-methoxyphenyl)-2-[2-cyanoethyl(furan-2-ylmethyl)amino]acetamide
CID 78823068
2-[bis(furan-2-ylmethyl)amino]-N-(2,6-difluorophenyl)acetamide
CID 8840881

Frequently Asked Questions

What is the IUPAC name of 2-[bis(furan-2-ylmethyl)amino]-N-(4-chloro-2-nitrophenyl)acetamide?
The IUPAC name of 2-[bis(furan-2-ylmethyl)amino]-N-(4-chloro-2-nitrophenyl)acetamide (CID 8841188) is 2-[bis(furan-2-ylmethyl)amino]-N-(4-chloro-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-[bis(furan-2-ylmethyl)amino]-N-(4-chloro-2-nitrophenyl)acetamide?
The canonical SMILES for 2-[bis(furan-2-ylmethyl)amino]-N-(4-chloro-2-nitrophenyl)acetamide is O=C(CN(Cc1ccco1)Cc1ccco1)Nc1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 2-[bis(furan-2-ylmethyl)amino]-N-(4-chloro-2-nitrophenyl)acetamide?
The InChIKey is FJFQZFVOGHZICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O5/c19-13-5-6-16(17(9-13)22(24)25)20-18(23)12-21(10-14-3-1-7-26-14)11-15-4-2-8-27-15/h1-9H,10-12H2,(H,20,23).
What are the key properties of 2-[bis(furan-2-ylmethyl)amino]-N-(4-chloro-2-nitrophenyl)acetamide?
2-[bis(furan-2-ylmethyl)amino]-N-(4-chloro-2-nitrophenyl)acetamide has a molecular weight of 389.80 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(furan-2-ylmethyl)amino]-N-(4-chloro-2-nitrophenyl)acetamide is sourced from PubChem (CID 8841188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).