N-(furan-2-ylmethyl)-2-(2-methyl-4-nitroanilino)acetamide

C14H15N3O4 — CID 78815640

IUPACN-(furan-2-ylmethyl)-2-(2-methyl-4-nitroanilino)acetamide
SMILESCc1cc([N+](=O)[O-])ccc1NCC(=O)NCc1ccco1
InChIInChI=1S/C14H15N3O4/c1-10-7-11(17(19)20)4-5-13(10)15-9-14(18)16-8-12-3-2-6-21-12/h2-7,15H,8-9H2,1H3,(H,16,18)
InChIKeyWOJCNEHMEDPACV-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.22
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-(2-methyl-4-nitroanilino)acetamide

N-(furan-2-ylmethyl)-2-(2-methyl-4-nitroanilino)acetamide (PubChem CID 78815640) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(2-methyl-4-nitroanilino)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(2-methyl-4-nitroanilino)acetamide
PubChem CID78815640
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC NameN-(furan-2-ylmethyl)-2-(2-methyl-4-nitroanilino)acetamide
SMILESCc1cc([N+](=O)[O-])ccc1NCC(=O)NCc1ccco1
InChIInChI=1S/C14H15N3O4/c1-10-7-11(17(19)20)4-5-13(10)15-9-14(18)16-8-12-3-2-6-21-12/h2-7,15H,8-9H2,1H3,(H,16,18)
InChIKeyWOJCNEHMEDPACV-UHFFFAOYSA-N
XLogP2.22
TPSA97.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-2-[4-nitro-2-(trifluoromethyl)anilino]acetamide
CID 47072285
2-[[2-(2-methyl-4-nitroanilino)acetyl]amino]acetic acid
CID 43465699
2-(4-fluoro-5-methoxy-2-nitroanilino)-N-(furan-2-ylmethyl)acetamide
CID 75379407
N-(furan-2-ylmethyl)-3-[3-methoxy-4-[(2-methyl-4-nitrophenyl)sulfamoyl]phenyl]propanamide
CID 54766832
1-(furan-2-ylmethyl)-3-(2-methyl-5-nitrophenyl)thiourea
CID 8620231
2-(furan-2-ylmethylamino)-5-nitrobenzoic acid
CID 2725579
2-(furan-2-ylmethylamino)-5-nitrobenzoate
CID 7202536
N-(furan-2-ylmethyl)-2-methoxy-4-nitroaniline
CID 43720039
N-(furan-2-ylmethyl)-2-[(8-nitroisoquinolin-5-yl)amino]acetamide
CID 51245856
3-[ethyl(furan-2-ylmethyl)amino]-N-(2-methyl-4-nitrophenyl)propanamide
CID 47078033
2-(3-chloro-2-methylanilino)-N-(furan-2-ylmethyl)acetamide
CID 31666412
2-(2-chloro-4-nitrophenoxy)-N-(furan-2-ylmethyl)acetamide
CID 7509255

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(2-methyl-4-nitroanilino)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(2-methyl-4-nitroanilino)acetamide (CID 78815640) is N-(furan-2-ylmethyl)-2-(2-methyl-4-nitroanilino)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(2-methyl-4-nitroanilino)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(2-methyl-4-nitroanilino)acetamide is Cc1cc([N+](=O)[O-])ccc1NCC(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(2-methyl-4-nitroanilino)acetamide?
The InChIKey is WOJCNEHMEDPACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-10-7-11(17(19)20)4-5-13(10)15-9-14(18)16-8-12-3-2-6-21-12/h2-7,15H,8-9H2,1H3,(H,16,18).
What are the key properties of N-(furan-2-ylmethyl)-2-(2-methyl-4-nitroanilino)acetamide?
N-(furan-2-ylmethyl)-2-(2-methyl-4-nitroanilino)acetamide has a molecular weight of 289.29 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(2-methyl-4-nitroanilino)acetamide is sourced from PubChem (CID 78815640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).