(1S)-N-[(E)-1-(3-bromophenyl)ethylideneamino]-2,2-dicyclopropylcyclopropane-1-carboxamide

C18H21BrN2O — CID 6977786

IUPAC(1S)-N-[(E)-1-(3-bromophenyl)ethylideneamino]-2,2-dicyclopropylcyclopropane-1-carboxamide
SMILESC/C(=N\NC(=O)[C@H]1CC1(C1CC1)C1CC1)c1cccc(Br)c1
InChIInChI=1S/C18H21BrN2O/c1-11(12-3-2-4-15(19)9-12)20-21-17(22)16-10-18(16,13-5-6-13)14-7-8-14/h2-4,9,13-14,16H,5-8,10H2,1H3,(H,21,22)/b20-11+/t16-/m1/s1
InChIKeyAPKXLSUWNNFIIN-MBTVCVBTSA-N
MW361.28 g/mol
LogP4.12
Rot. Bonds5

About (1S)-N-[(E)-1-(3-bromophenyl)ethylideneamino]-2,2-dicyclopropylcyclopropane-1-carboxamide

(1S)-N-[(E)-1-(3-bromophenyl)ethylideneamino]-2,2-dicyclopropylcyclopropane-1-carboxamide (PubChem CID 6977786) has the molecular formula C18H21BrN2O and a molecular weight of 361.28 g/mol. Its IUPAC name is (1S)-N-[(E)-1-(3-bromophenyl)ethylideneamino]-2,2-dicyclopropylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-[(E)-1-(3-bromophenyl)ethylideneamino]-2,2-dicyclopropylcyclopropane-1-carboxamide
PubChem CID6977786
Molecular FormulaC18H21BrN2O
Molecular Weight361.28 g/mol
Exact Mass360.08
IUPAC Name(1S)-N-[(E)-1-(3-bromophenyl)ethylideneamino]-2,2-dicyclopropylcyclopropane-1-carboxamide
SMILESC/C(=N\NC(=O)[C@H]1CC1(C1CC1)C1CC1)c1cccc(Br)c1
InChIInChI=1S/C18H21BrN2O/c1-11(12-3-2-4-15(19)9-12)20-21-17(22)16-10-18(16,13-5-6-13)14-7-8-14/h2-4,9,13-14,16H,5-8,10H2,1H3,(H,21,22)/b20-11+/t16-/m1/s1
InChIKeyAPKXLSUWNNFIIN-MBTVCVBTSA-N
XLogP4.12
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.28
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S)-N-[(E)-1-(3-bromophenyl)ethylideneamino]-2,2-dicyclopropylcyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-1-(3-bromophenyl)ethylideneamino]bicyclo[6.1.0]nonane-9-carboxamide
CID 56695642
3-bromo-N-[(E)-1-(3-bromophenyl)ethylideneamino]benzamide
CID 19685670
trans-(1R,2R)-N-[(E)-1-(3-bromophenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 73353906
N-[(E)-1-(3-bromophenyl)ethylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 11961320
N,N'-bis[1-(3-bromophenyl)ethylideneamino]pentanediamide
CID 4580556
N-[(Z)-1-(3-bromophenyl)propylideneamino]cyclopropanecarboxamide
CID 9233990
3-bromo-N-[1-(3-methylphenyl)ethylideneamino]benzamide
CID 3319660
tert-butyl N-[1-(3-bromophenyl)ethylideneamino]carbamate
CID 4239815
N-[1-(3-bromophenyl)ethylideneamino]-3,4,5-trimethoxybenzamide
CID 3496724
N-[1-(3-aminophenyl)ethylideneamino]cyclopropanecarboxamide
CID 922383
N-[1-(3-bromophenyl)propylideneamino]cyclopentanecarboxamide
CID 24818451
N-[1-(4-bromophenyl)ethylideneamino]spiro[2.3]hexane-2-carboxamide
CID 3096093

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(E)-1-(3-bromophenyl)ethylideneamino]-2,2-dicyclopropylcyclopropane-1-carboxamide?
The IUPAC name of (1S)-N-[(E)-1-(3-bromophenyl)ethylideneamino]-2,2-dicyclopropylcyclopropane-1-carboxamide (CID 6977786) is (1S)-N-[(E)-1-(3-bromophenyl)ethylideneamino]-2,2-dicyclopropylcyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-N-[(E)-1-(3-bromophenyl)ethylideneamino]-2,2-dicyclopropylcyclopropane-1-carboxamide?
The canonical SMILES for (1S)-N-[(E)-1-(3-bromophenyl)ethylideneamino]-2,2-dicyclopropylcyclopropane-1-carboxamide is C/C(=N\NC(=O)[C@H]1CC1(C1CC1)C1CC1)c1cccc(Br)c1.
What is the InChIKey of (1S)-N-[(E)-1-(3-bromophenyl)ethylideneamino]-2,2-dicyclopropylcyclopropane-1-carboxamide?
The InChIKey is APKXLSUWNNFIIN-MBTVCVBTSA-N. The full InChI is InChI=1S/C18H21BrN2O/c1-11(12-3-2-4-15(19)9-12)20-21-17(22)16-10-18(16,13-5-6-13)14-7-8-14/h2-4,9,13-14,16H,5-8,10H2,1H3,(H,21,22)/b20-11+/t16-/m1/s1.
What are the key properties of (1S)-N-[(E)-1-(3-bromophenyl)ethylideneamino]-2,2-dicyclopropylcyclopropane-1-carboxamide?
(1S)-N-[(E)-1-(3-bromophenyl)ethylideneamino]-2,2-dicyclopropylcyclopropane-1-carboxamide has a molecular weight of 361.28 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(E)-1-(3-bromophenyl)ethylideneamino]-2,2-dicyclopropylcyclopropane-1-carboxamide is sourced from PubChem (CID 6977786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).