(Z)-N-[(1S)-2,2-diphenylcyclopropanecarbonyl]-3-phenylprop-2-enehydrazonoyl bromide

C25H21BrN2O — CID 129440125

IUPAC(Z)-N-[(1S)-2,2-diphenylcyclopropanecarbonyl]-3-phenylprop-2-enehydrazonoyl bromide
SMILESO=C(NN=C(Br)/C=C\c1ccccc1)[C@H]1CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H21BrN2O/c26-23(17-16-19-10-4-1-5-11-19)27-28-24(29)22-18-25(22,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-17,22H,18H2,(H,28,29)/b17-16-,27-23?/t22-/m1/s1
InChIKeyQSFUVCKSNIHEHU-KCHAFNTOSA-N
MW445.36 g/mol
LogP5.53
Rot. Bonds6

About (Z)-N-[(1S)-2,2-diphenylcyclopropanecarbonyl]-3-phenylprop-2-enehydrazonoyl bromide

(Z)-N-[(1S)-2,2-diphenylcyclopropanecarbonyl]-3-phenylprop-2-enehydrazonoyl bromide (PubChem CID 129440125) has the molecular formula C25H21BrN2O and a molecular weight of 445.36 g/mol. Its IUPAC name is (Z)-N-[(1S)-2,2-diphenylcyclopropanecarbonyl]-3-phenylprop-2-enehydrazonoyl bromide.

Molecular Properties

Compound Name(Z)-N-[(1S)-2,2-diphenylcyclopropanecarbonyl]-3-phenylprop-2-enehydrazonoyl bromide
PubChem CID129440125
Molecular FormulaC25H21BrN2O
Molecular Weight445.36 g/mol
Exact Mass444.08
IUPAC Name(Z)-N-[(1S)-2,2-diphenylcyclopropanecarbonyl]-3-phenylprop-2-enehydrazonoyl bromide
SMILESO=C(NN=C(Br)/C=C\c1ccccc1)[C@H]1CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H21BrN2O/c26-23(17-16-19-10-4-1-5-11-19)27-28-24(29)22-18-25(22,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-17,22H,18H2,(H,28,29)/b17-16-,27-23?/t22-/m1/s1
InChIKeyQSFUVCKSNIHEHU-KCHAFNTOSA-N
XLogP5.53
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.36
LogP ≤ 55.53
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 (Z)-N-[(1S)-2,2-diphenylcyclopropanecarbonyl]-3-phenylprop-2-enehydrazonoyl bromide 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

(1S)-N-[[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-2,2-diphenylcyclopropane-1-carboxamide
CID 129440795
N-[(E)-butan-2-ylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 25250653
(1S)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 135780050
(1R)-2,2-diphenyl-N-[(Z)-1-phenylbutylideneamino]cyclopropane-1-carboxamide
CID 7452244
N-[(3-methyl-1-phenylbutylidene)amino]-2,2-diphenylcyclopropane-1-carboxamide
CID 4530150
(1R)-N-[(Z)-1-naphthalen-2-ylethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 7452248
N-[(E)-1-(2,5-dimethylphenyl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 11835636
(1S)-2,2-diphenyl-N-[(Z)-1-phenylpentylideneamino]cyclopropane-1-carboxamide
CID 7285249
(1S)-N-[1-(4-methoxyphenyl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 1378728
N-[(E)-1-(4-fluorophenyl)butylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 56692976
[4-[[(2,2-diphenylcyclopropanecarbonyl)hydrazinylidene]methyl]phenyl] benzoate
CID 3683774
(1R)-N-[(3-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 1237555

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(1S)-2,2-diphenylcyclopropanecarbonyl]-3-phenylprop-2-enehydrazonoyl bromide?
The IUPAC name of (Z)-N-[(1S)-2,2-diphenylcyclopropanecarbonyl]-3-phenylprop-2-enehydrazonoyl bromide (CID 129440125) is (Z)-N-[(1S)-2,2-diphenylcyclopropanecarbonyl]-3-phenylprop-2-enehydrazonoyl bromide.
What is the SMILES notation for (Z)-N-[(1S)-2,2-diphenylcyclopropanecarbonyl]-3-phenylprop-2-enehydrazonoyl bromide?
The canonical SMILES for (Z)-N-[(1S)-2,2-diphenylcyclopropanecarbonyl]-3-phenylprop-2-enehydrazonoyl bromide is O=C(NN=C(Br)/C=C\c1ccccc1)[C@H]1CC1(c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-N-[(1S)-2,2-diphenylcyclopropanecarbonyl]-3-phenylprop-2-enehydrazonoyl bromide?
The InChIKey is QSFUVCKSNIHEHU-KCHAFNTOSA-N. The full InChI is InChI=1S/C25H21BrN2O/c26-23(17-16-19-10-4-1-5-11-19)27-28-24(29)22-18-25(22,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-17,22H,18H2,(H,28,29)/b17-16-,27-23?/t22-/m1/s1.
What are the key properties of (Z)-N-[(1S)-2,2-diphenylcyclopropanecarbonyl]-3-phenylprop-2-enehydrazonoyl bromide?
(Z)-N-[(1S)-2,2-diphenylcyclopropanecarbonyl]-3-phenylprop-2-enehydrazonoyl bromide has a molecular weight of 445.36 g/mol, XLogP of 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(1S)-2,2-diphenylcyclopropanecarbonyl]-3-phenylprop-2-enehydrazonoyl bromide is sourced from PubChem (CID 129440125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).