N-(fluoren-9-ylideneamino)-2-(4-methoxyanilino)acetamide

C22H19N3O2 — CID 7933106

IUPACN-(fluoren-9-ylideneamino)-2-(4-methoxyanilino)acetamide
SMILESCOc1ccc(NCC(=O)NN=C2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C22H19N3O2/c1-27-16-12-10-15(11-13-16)23-14-21(26)24-25-22-19-8-4-2-6-17(19)18-7-3-5-9-20(18)22/h2-13,23H,14H2,1H3,(H,24,26)
InChIKeyNJIMCNPXOWTVIP-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.66
Rot. Bonds5

About N-(fluoren-9-ylideneamino)-2-(4-methoxyanilino)acetamide

N-(fluoren-9-ylideneamino)-2-(4-methoxyanilino)acetamide (PubChem CID 7933106) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-(fluoren-9-ylideneamino)-2-(4-methoxyanilino)acetamide.

Molecular Properties

Compound NameN-(fluoren-9-ylideneamino)-2-(4-methoxyanilino)acetamide
PubChem CID7933106
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC NameN-(fluoren-9-ylideneamino)-2-(4-methoxyanilino)acetamide
SMILESCOc1ccc(NCC(=O)NN=C2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C22H19N3O2/c1-27-16-12-10-15(11-13-16)23-14-21(26)24-25-22-19-8-4-2-6-17(19)18-7-3-5-9-20(18)22/h2-13,23H,14H2,1H3,(H,24,26)
InChIKeyNJIMCNPXOWTVIP-UHFFFAOYSA-N
XLogP3.66
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyanilino)-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]acetamide
CID 7933100
2-(4-methoxyanilino)-N-phenylacetamide
CID 7636829
2-anilino-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 7784236
2-(4-methoxyanilino)-N-(3-phenylpropylideneamino)acetamide
CID 4922169
N-(1-cyclopropylethylideneamino)-2-(4-methoxyanilino)acetamide
CID 968169
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)acetamide
CID 136899311
2-(4-methoxyanilino)-N-[(Z)-4-methylpentan-2-ylideneamino]acetamide
CID 6167892
2-(4-methoxyanilino)-N-[(4-methoxynaphthalen-1-yl)methylideneamino]acetamide
CID 4628921
2-(4-methoxyanilino)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 5427947
N-(2-bromophenyl)-2-(4-methoxyanilino)acetamide
CID 28585942
N-(4-methoxyphenyl)-2-[4-(2-phenoxyethoxy)anilino]acetamide
CID 54823074
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-2-(4-methoxyanilino)acetamide
CID 136742559

Frequently Asked Questions

What is the IUPAC name of N-(fluoren-9-ylideneamino)-2-(4-methoxyanilino)acetamide?
The IUPAC name of N-(fluoren-9-ylideneamino)-2-(4-methoxyanilino)acetamide (CID 7933106) is N-(fluoren-9-ylideneamino)-2-(4-methoxyanilino)acetamide.
What is the SMILES notation for N-(fluoren-9-ylideneamino)-2-(4-methoxyanilino)acetamide?
The canonical SMILES for N-(fluoren-9-ylideneamino)-2-(4-methoxyanilino)acetamide is COc1ccc(NCC(=O)NN=C2c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of N-(fluoren-9-ylideneamino)-2-(4-methoxyanilino)acetamide?
The InChIKey is NJIMCNPXOWTVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-27-16-12-10-15(11-13-16)23-14-21(26)24-25-22-19-8-4-2-6-17(19)18-7-3-5-9-20(18)22/h2-13,23H,14H2,1H3,(H,24,26).
What are the key properties of N-(fluoren-9-ylideneamino)-2-(4-methoxyanilino)acetamide?
N-(fluoren-9-ylideneamino)-2-(4-methoxyanilino)acetamide has a molecular weight of 357.41 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(fluoren-9-ylideneamino)-2-(4-methoxyanilino)acetamide is sourced from PubChem (CID 7933106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).