N-(2-aminophenyl)-4-[[1-(3H-inden-5-ylmethyl)azetidin-3-ylidene]methyl]benzamide

C27H25N3O — CID 161388785

IUPACN-(2-aminophenyl)-4-[[1-(3H-inden-5-ylmethyl)azetidin-3-ylidene]methyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(C=C2CN(Cc3ccc4c(c3)CC=C4)C2)cc1
InChIInChI=1S/C27H25N3O/c28-25-6-1-2-7-26(25)29-27(31)23-12-8-19(9-13-23)14-21-17-30(18-21)16-20-10-11-22-4-3-5-24(22)15-20/h1-4,6-15H,5,16-18,28H2,(H,29,31)
InChIKeyVSRWMBMNLIULQR-UHFFFAOYSA-N
MW407.52 g/mol
LogP4.99
Rot. Bonds5

About N-(2-aminophenyl)-4-[[1-(3H-inden-5-ylmethyl)azetidin-3-ylidene]methyl]benzamide

N-(2-aminophenyl)-4-[[1-(3H-inden-5-ylmethyl)azetidin-3-ylidene]methyl]benzamide (PubChem CID 161388785) has the molecular formula C27H25N3O and a molecular weight of 407.52 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[1-(3H-inden-5-ylmethyl)azetidin-3-ylidene]methyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[[1-(3H-inden-5-ylmethyl)azetidin-3-ylidene]methyl]benzamide
PubChem CID161388785
Molecular FormulaC27H25N3O
Molecular Weight407.52 g/mol
Exact Mass407.20
IUPAC NameN-(2-aminophenyl)-4-[[1-(3H-inden-5-ylmethyl)azetidin-3-ylidene]methyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(C=C2CN(Cc3ccc4c(c3)CC=C4)C2)cc1
InChIInChI=1S/C27H25N3O/c28-25-6-1-2-7-26(25)29-27(31)23-12-8-19(9-13-23)14-21-17-30(18-21)16-20-10-11-22-4-3-5-24(22)15-20/h1-4,6-15H,5,16-18,28H2,(H,29,31)
InChIKeyVSRWMBMNLIULQR-UHFFFAOYSA-N
XLogP4.99
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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CID 138662403
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N-(2-amino-4-fluorophenyl)-4-[[1-(cyclopropylmethyl)azetidin-3-ylidene]methyl]benzamide
CID 86268314
N-(2-aminophenyl)-4-[[(3E)-3-[(4-chlorophenyl)methylidene]-2-oxopiperidin-1-yl]methyl]benzamide
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CID 135254132
N-(2-aminophenyl)-4-[[(1-benzylpiperidin-4-yl)methylamino]methyl]benzamide
CID 171354291
N-(2-aminophenyl)-4-[(3-benzylidene-2-oxocyclopentyl)methyl]benzamide
CID 175274289
(4-methylpiperazin-1-yl)methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate
CID 22668103
N-(2-aminophenyl)-4-[(E)-3-oxoprop-1-enyl]benzamide
CID 141088053
N-(2-aminophenyl)-4-(2,2-dimethylpropyl)benzamide
CID 58916411
4-[(2-aminophenyl)carbamoyl]benzoic acid
CID 61408098
N-(2-aminophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 58930508

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[[1-(3H-inden-5-ylmethyl)azetidin-3-ylidene]methyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[[1-(3H-inden-5-ylmethyl)azetidin-3-ylidene]methyl]benzamide (CID 161388785) is N-(2-aminophenyl)-4-[[1-(3H-inden-5-ylmethyl)azetidin-3-ylidene]methyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[[1-(3H-inden-5-ylmethyl)azetidin-3-ylidene]methyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[[1-(3H-inden-5-ylmethyl)azetidin-3-ylidene]methyl]benzamide is Nc1ccccc1NC(=O)c1ccc(C=C2CN(Cc3ccc4c(c3)CC=C4)C2)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[[1-(3H-inden-5-ylmethyl)azetidin-3-ylidene]methyl]benzamide?
The InChIKey is VSRWMBMNLIULQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O/c28-25-6-1-2-7-26(25)29-27(31)23-12-8-19(9-13-23)14-21-17-30(18-21)16-20-10-11-22-4-3-5-24(22)15-20/h1-4,6-15H,5,16-18,28H2,(H,29,31).
What are the key properties of N-(2-aminophenyl)-4-[[1-(3H-inden-5-ylmethyl)azetidin-3-ylidene]methyl]benzamide?
N-(2-aminophenyl)-4-[[1-(3H-inden-5-ylmethyl)azetidin-3-ylidene]methyl]benzamide has a molecular weight of 407.52 g/mol, XLogP of 4.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[[1-(3H-inden-5-ylmethyl)azetidin-3-ylidene]methyl]benzamide is sourced from PubChem (CID 161388785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).