N-[(5-bromofuran-2-yl)methylideneamino]-2-(4-methylanilino)acetamide

C14H14BrN3O2 — CID 758692

IUPACN-[(5-bromofuran-2-yl)methylideneamino]-2-(4-methylanilino)acetamide
SMILESCc1ccc(NCC(=O)NN=Cc2ccc(Br)o2)cc1
InChIInChI=1S/C14H14BrN3O2/c1-10-2-4-11(5-3-10)16-9-14(19)18-17-8-12-6-7-13(15)20-12/h2-8,16H,9H2,1H3,(H,18,19)
InChIKeyPYBPWXIKMOTXAT-UHFFFAOYSA-N
MW336.19 g/mol
LogP2.91
Rot. Bonds5

About N-[(5-bromofuran-2-yl)methylideneamino]-2-(4-methylanilino)acetamide

N-[(5-bromofuran-2-yl)methylideneamino]-2-(4-methylanilino)acetamide (PubChem CID 758692) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)methylideneamino]-2-(4-methylanilino)acetamide.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)methylideneamino]-2-(4-methylanilino)acetamide
PubChem CID758692
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC NameN-[(5-bromofuran-2-yl)methylideneamino]-2-(4-methylanilino)acetamide
SMILESCc1ccc(NCC(=O)NN=Cc2ccc(Br)o2)cc1
InChIInChI=1S/C14H14BrN3O2/c1-10-2-4-11(5-3-10)16-9-14(19)18-17-8-12-6-7-13(15)20-12/h2-8,16H,9H2,1H3,(H,18,19)
InChIKeyPYBPWXIKMOTXAT-UHFFFAOYSA-N
XLogP2.91
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(benzylideneamino)-2-(4-methylanilino)acetamide
CID 689462
N,N'-bis[(5-bromofuran-2-yl)methylideneamino]octanediamide
CID 3286052
N-[(4-chlorophenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 689465
2-(4-bromoanilino)-N-[(Z)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]acetamide
CID 126351374
2-(4-chloroanilino)-N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 126371391
2-(4-methylanilino)-N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide
CID 2249798
methyl 4-[(Z)-[[2-(4-methylanilino)acetyl]hydrazinylidene]methyl]benzoate
CID 5401590
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methylanilino)acetamide;hydrochloride
CID 163329045
2-(4-bromoanilino)-N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 126355492
N-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-(4-methylanilino)acetamide
CID 1118885
N-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 21208726
N-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 4086824

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)methylideneamino]-2-(4-methylanilino)acetamide?
The IUPAC name of N-[(5-bromofuran-2-yl)methylideneamino]-2-(4-methylanilino)acetamide (CID 758692) is N-[(5-bromofuran-2-yl)methylideneamino]-2-(4-methylanilino)acetamide.
What is the SMILES notation for N-[(5-bromofuran-2-yl)methylideneamino]-2-(4-methylanilino)acetamide?
The canonical SMILES for N-[(5-bromofuran-2-yl)methylideneamino]-2-(4-methylanilino)acetamide is Cc1ccc(NCC(=O)NN=Cc2ccc(Br)o2)cc1.
What is the InChIKey of N-[(5-bromofuran-2-yl)methylideneamino]-2-(4-methylanilino)acetamide?
The InChIKey is PYBPWXIKMOTXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c1-10-2-4-11(5-3-10)16-9-14(19)18-17-8-12-6-7-13(15)20-12/h2-8,16H,9H2,1H3,(H,18,19).
What are the key properties of N-[(5-bromofuran-2-yl)methylideneamino]-2-(4-methylanilino)acetamide?
N-[(5-bromofuran-2-yl)methylideneamino]-2-(4-methylanilino)acetamide has a molecular weight of 336.19 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)methylideneamino]-2-(4-methylanilino)acetamide is sourced from PubChem (CID 758692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).