N-[(E)-benzylideneamino]-4-(carbazol-9-ylmethyl)benzamide

C27H21N3O — CID 177459672

IUPACN-[(E)-benzylideneamino]-4-(carbazol-9-ylmethyl)benzamide
SMILESO=C(N/N=C/c1ccccc1)c1ccc(Cn2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C27H21N3O/c31-27(29-28-18-20-8-2-1-3-9-20)22-16-14-21(15-17-22)19-30-25-12-6-4-10-23(25)24-11-5-7-13-26(24)30/h1-18H,19H2,(H,29,31)/b28-18+
InChIKeyNLVVVUKDDRKMCZ-MTDXEUNCSA-N
MW403.49 g/mol
LogP5.61
Rot. Bonds5

About N-[(E)-benzylideneamino]-4-(carbazol-9-ylmethyl)benzamide

N-[(E)-benzylideneamino]-4-(carbazol-9-ylmethyl)benzamide (PubChem CID 177459672) has the molecular formula C27H21N3O and a molecular weight of 403.49 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-4-(carbazol-9-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-4-(carbazol-9-ylmethyl)benzamide
PubChem CID177459672
Molecular FormulaC27H21N3O
Molecular Weight403.49 g/mol
Exact Mass403.17
IUPAC NameN-[(E)-benzylideneamino]-4-(carbazol-9-ylmethyl)benzamide
SMILESO=C(N/N=C/c1ccccc1)c1ccc(Cn2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C27H21N3O/c31-27(29-28-18-20-8-2-1-3-9-20)22-16-14-21(15-17-22)19-30-25-12-6-4-10-23(25)24-11-5-7-13-26(24)30/h1-18H,19H2,(H,29,31)/b28-18+
InChIKeyNLVVVUKDDRKMCZ-MTDXEUNCSA-N
XLogP5.61
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.49
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-hydroxybenzamide
CID 4615384
N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-hydroxybenzamide
CID 46501991
N-(benzylideneamino)-4-(imidazol-1-ylmethyl)benzamide
CID 86084165
N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-bromobenzamide
CID 3382244
4-chloro-N-[(9-ethylcarbazol-3-yl)methylideneamino]benzamide
CID 4508320
N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-methoxybenzamide
CID 6883031
1-benzyl-N-[(E)-(4-chlorophenyl)methylideneamino]-2,3-dimethylindole-5-carboxamide
CID 6875064
4-acetamido-N-[(Z)-benzylideneamino]benzamide
CID 5397950
4-amino-N-[(Z)-benzylideneamino]benzamide
CID 5398118
N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-4-iodobenzamide
CID 71554995
N-[(9-ethylcarbazol-3-yl)methylideneamino]-4-iodobenzamide
CID 78110173
N-[[4-(3-carbazol-9-yl-2-hydroxypropoxy)phenyl]methylideneamino]benzamide
CID 4199818

Frequently Asked Questions

What is the IUPAC name of N-[(E)-benzylideneamino]-4-(carbazol-9-ylmethyl)benzamide?
The IUPAC name of N-[(E)-benzylideneamino]-4-(carbazol-9-ylmethyl)benzamide (CID 177459672) is N-[(E)-benzylideneamino]-4-(carbazol-9-ylmethyl)benzamide.
What is the SMILES notation for N-[(E)-benzylideneamino]-4-(carbazol-9-ylmethyl)benzamide?
The canonical SMILES for N-[(E)-benzylideneamino]-4-(carbazol-9-ylmethyl)benzamide is O=C(N/N=C/c1ccccc1)c1ccc(Cn2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of N-[(E)-benzylideneamino]-4-(carbazol-9-ylmethyl)benzamide?
The InChIKey is NLVVVUKDDRKMCZ-MTDXEUNCSA-N. The full InChI is InChI=1S/C27H21N3O/c31-27(29-28-18-20-8-2-1-3-9-20)22-16-14-21(15-17-22)19-30-25-12-6-4-10-23(25)24-11-5-7-13-26(24)30/h1-18H,19H2,(H,29,31)/b28-18+.
What are the key properties of N-[(E)-benzylideneamino]-4-(carbazol-9-ylmethyl)benzamide?
N-[(E)-benzylideneamino]-4-(carbazol-9-ylmethyl)benzamide has a molecular weight of 403.49 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-4-(carbazol-9-ylmethyl)benzamide is sourced from PubChem (CID 177459672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).