N'-[(E)-3-(4-bromophenyl)prop-2-enoyl]-4-(diethylamino)benzohydrazide

C20H22BrN3O2 — CID 9155917

IUPACN'-[(E)-3-(4-bromophenyl)prop-2-enoyl]-4-(diethylamino)benzohydrazide
SMILESCCN(CC)c1ccc(C(=O)NNC(=O)/C=C/c2ccc(Br)cc2)cc1
InChIInChI=1S/C20H22BrN3O2/c1-3-24(4-2)18-12-8-16(9-13-18)20(26)23-22-19(25)14-7-15-5-10-17(21)11-6-15/h5-14H,3-4H2,1-2H3,(H,22,25)(H,23,26)/b14-7+
InChIKeyWZYKXUIZEUZOIK-VGOFMYFVSA-N
MW416.32 g/mol
LogP3.77
Rot. Bonds6

About N'-[(E)-3-(4-bromophenyl)prop-2-enoyl]-4-(diethylamino)benzohydrazide

N'-[(E)-3-(4-bromophenyl)prop-2-enoyl]-4-(diethylamino)benzohydrazide (PubChem CID 9155917) has the molecular formula C20H22BrN3O2 and a molecular weight of 416.32 g/mol. Its IUPAC name is N'-[(E)-3-(4-bromophenyl)prop-2-enoyl]-4-(diethylamino)benzohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(4-bromophenyl)prop-2-enoyl]-4-(diethylamino)benzohydrazide
PubChem CID9155917
Molecular FormulaC20H22BrN3O2
Molecular Weight416.32 g/mol
Exact Mass415.09
IUPAC NameN'-[(E)-3-(4-bromophenyl)prop-2-enoyl]-4-(diethylamino)benzohydrazide
SMILESCCN(CC)c1ccc(C(=O)NNC(=O)/C=C/c2ccc(Br)cc2)cc1
InChIInChI=1S/C20H22BrN3O2/c1-3-24(4-2)18-12-8-16(9-13-18)20(26)23-22-19(25)14-7-15-5-10-17(21)11-6-15/h5-14H,3-4H2,1-2H3,(H,22,25)(H,23,26)/b14-7+
InChIKeyWZYKXUIZEUZOIK-VGOFMYFVSA-N
XLogP3.77
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.32
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[4-[(E)-3-[4-(diethylamino)phenyl]-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide
CID 11574132
4-(diethylamino)-N'-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]benzohydrazide
CID 4219280
4-(diethylamino)-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide
CID 9156146
N'-[2-(4-bromophenyl)acetyl]-4-(diethylamino)benzohydrazide
CID 9156474
4-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 5373596
1-[4-(diethylamino)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
CID 86039133
3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]prop-2-enamide
CID 5015585
tert-butyl N-[[4-[3-(hydroxyamino)-3-oxoprop-1-enyl]benzoyl]amino]carbamate
CID 123502017
methyl 4-[[[4-(diethylamino)benzoyl]amino]carbamoyl]benzoate
CID 9156446
N'-[(E)-3-(4-bromophenyl)prop-2-enoyl]-3-chlorobenzohydrazide
CID 9475460
N-[4-[[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]carbamoyl]phenyl]propanamide
CID 17195562
N'-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enoyl]-4-(diethylamino)benzohydrazide
CID 8968723

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-(4-bromophenyl)prop-2-enoyl]-4-(diethylamino)benzohydrazide?
The IUPAC name of N'-[(E)-3-(4-bromophenyl)prop-2-enoyl]-4-(diethylamino)benzohydrazide (CID 9155917) is N'-[(E)-3-(4-bromophenyl)prop-2-enoyl]-4-(diethylamino)benzohydrazide.
What is the SMILES notation for N'-[(E)-3-(4-bromophenyl)prop-2-enoyl]-4-(diethylamino)benzohydrazide?
The canonical SMILES for N'-[(E)-3-(4-bromophenyl)prop-2-enoyl]-4-(diethylamino)benzohydrazide is CCN(CC)c1ccc(C(=O)NNC(=O)/C=C/c2ccc(Br)cc2)cc1.
What is the InChIKey of N'-[(E)-3-(4-bromophenyl)prop-2-enoyl]-4-(diethylamino)benzohydrazide?
The InChIKey is WZYKXUIZEUZOIK-VGOFMYFVSA-N. The full InChI is InChI=1S/C20H22BrN3O2/c1-3-24(4-2)18-12-8-16(9-13-18)20(26)23-22-19(25)14-7-15-5-10-17(21)11-6-15/h5-14H,3-4H2,1-2H3,(H,22,25)(H,23,26)/b14-7+.
What are the key properties of N'-[(E)-3-(4-bromophenyl)prop-2-enoyl]-4-(diethylamino)benzohydrazide?
N'-[(E)-3-(4-bromophenyl)prop-2-enoyl]-4-(diethylamino)benzohydrazide has a molecular weight of 416.32 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(4-bromophenyl)prop-2-enoyl]-4-(diethylamino)benzohydrazide is sourced from PubChem (CID 9155917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).