(NZ)-N-[[4-[[(7-chloro-2,3,4,5-tetrahydro-1H-3-benzazepin-6-yl)amino]methyl]phenyl]-phenylmethylidene]hydroxylamine

C24H24ClN3O — CID 87119018

IUPAC(NZ)-N-[[4-[[(7-chloro-2,3,4,5-tetrahydro-1H-3-benzazepin-6-yl)amino]methyl]phenyl]-phenylmethylidene]hydroxylamine
SMILESO/N=C(/c1ccccc1)c1ccc(CNc2c(Cl)ccc3c2CCNCC3)cc1
InChIInChI=1S/C24H24ClN3O/c25-22-11-10-18-12-14-26-15-13-21(18)24(22)27-16-17-6-8-20(9-7-17)23(28-29)19-4-2-1-3-5-19/h1-11,26-27,29H,12-16H2/b28-23-
InChIKeyVVUWEADPKSYAIN-NFFVHWSESA-N
MW405.93 g/mol
LogP4.87
Rot. Bonds5

About (NZ)-N-[[4-[[(7-chloro-2,3,4,5-tetrahydro-1H-3-benzazepin-6-yl)amino]methyl]phenyl]-phenylmethylidene]hydroxylamine

(NZ)-N-[[4-[[(7-chloro-2,3,4,5-tetrahydro-1H-3-benzazepin-6-yl)amino]methyl]phenyl]-phenylmethylidene]hydroxylamine (PubChem CID 87119018) has the molecular formula C24H24ClN3O and a molecular weight of 405.93 g/mol. Its IUPAC name is (NZ)-N-[[4-[[(7-chloro-2,3,4,5-tetrahydro-1H-3-benzazepin-6-yl)amino]methyl]phenyl]-phenylmethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[4-[[(7-chloro-2,3,4,5-tetrahydro-1H-3-benzazepin-6-yl)amino]methyl]phenyl]-phenylmethylidene]hydroxylamine
PubChem CID87119018
Molecular FormulaC24H24ClN3O
Molecular Weight405.93 g/mol
Exact Mass405.16
IUPAC Name(NZ)-N-[[4-[[(7-chloro-2,3,4,5-tetrahydro-1H-3-benzazepin-6-yl)amino]methyl]phenyl]-phenylmethylidene]hydroxylamine
SMILESO/N=C(/c1ccccc1)c1ccc(CNc2c(Cl)ccc3c2CCNCC3)cc1
InChIInChI=1S/C24H24ClN3O/c25-22-11-10-18-12-14-26-15-13-21(18)24(22)27-16-17-6-8-20(9-7-17)23(28-29)19-4-2-1-3-5-19/h1-11,26-27,29H,12-16H2/b28-23-
InChIKeyVVUWEADPKSYAIN-NFFVHWSESA-N
XLogP4.87
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.93
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[[4-[[(7-chloro-2,3,4,5-tetrahydro-1H-3-benzazepin-6-yl)amino]methyl]phenyl]-phenylmethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[4-[[(7-chloro-2,3,4,5-tetrahydro-1H-3-benzazepin-6-yl)amino]methyl]phenyl]-phenylmethylidene]hydroxylamine (CID 87119018) is (NZ)-N-[[4-[[(7-chloro-2,3,4,5-tetrahydro-1H-3-benzazepin-6-yl)amino]methyl]phenyl]-phenylmethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[4-[[(7-chloro-2,3,4,5-tetrahydro-1H-3-benzazepin-6-yl)amino]methyl]phenyl]-phenylmethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[4-[[(7-chloro-2,3,4,5-tetrahydro-1H-3-benzazepin-6-yl)amino]methyl]phenyl]-phenylmethylidene]hydroxylamine is O/N=C(/c1ccccc1)c1ccc(CNc2c(Cl)ccc3c2CCNCC3)cc1.
What is the InChIKey of (NZ)-N-[[4-[[(7-chloro-2,3,4,5-tetrahydro-1H-3-benzazepin-6-yl)amino]methyl]phenyl]-phenylmethylidene]hydroxylamine?
The InChIKey is VVUWEADPKSYAIN-NFFVHWSESA-N. The full InChI is InChI=1S/C24H24ClN3O/c25-22-11-10-18-12-14-26-15-13-21(18)24(22)27-16-17-6-8-20(9-7-17)23(28-29)19-4-2-1-3-5-19/h1-11,26-27,29H,12-16H2/b28-23-.
What are the key properties of (NZ)-N-[[4-[[(7-chloro-2,3,4,5-tetrahydro-1H-3-benzazepin-6-yl)amino]methyl]phenyl]-phenylmethylidene]hydroxylamine?
(NZ)-N-[[4-[[(7-chloro-2,3,4,5-tetrahydro-1H-3-benzazepin-6-yl)amino]methyl]phenyl]-phenylmethylidene]hydroxylamine has a molecular weight of 405.93 g/mol, XLogP of 4.87, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[4-[[(7-chloro-2,3,4,5-tetrahydro-1H-3-benzazepin-6-yl)amino]methyl]phenyl]-phenylmethylidene]hydroxylamine is sourced from PubChem (CID 87119018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).