N'-[2-(4-bromophenyl)acetyl]-4-(diethylamino)benzohydrazide

C19H22BrN3O2 — CID 9156474

IUPACN'-[2-(4-bromophenyl)acetyl]-4-(diethylamino)benzohydrazide
SMILESCCN(CC)c1ccc(C(=O)NNC(=O)Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C19H22BrN3O2/c1-3-23(4-2)17-11-7-15(8-12-17)19(25)22-21-18(24)13-14-5-9-16(20)10-6-14/h5-12H,3-4,13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyLWSKBRARVNRLAE-UHFFFAOYSA-N
MW404.31 g/mol
LogP3.30
Rot. Bonds6

About N'-[2-(4-bromophenyl)acetyl]-4-(diethylamino)benzohydrazide

N'-[2-(4-bromophenyl)acetyl]-4-(diethylamino)benzohydrazide (PubChem CID 9156474) has the molecular formula C19H22BrN3O2 and a molecular weight of 404.31 g/mol. Its IUPAC name is N'-[2-(4-bromophenyl)acetyl]-4-(diethylamino)benzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-bromophenyl)acetyl]-4-(diethylamino)benzohydrazide
PubChem CID9156474
Molecular FormulaC19H22BrN3O2
Molecular Weight404.31 g/mol
Exact Mass403.09
IUPAC NameN'-[2-(4-bromophenyl)acetyl]-4-(diethylamino)benzohydrazide
SMILESCCN(CC)c1ccc(C(=O)NNC(=O)Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C19H22BrN3O2/c1-3-23(4-2)17-11-7-15(8-12-17)19(25)22-21-18(24)13-14-5-9-16(20)10-6-14/h5-12H,3-4,13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyLWSKBRARVNRLAE-UHFFFAOYSA-N
XLogP3.30
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.31
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N'-(2-phenylacetyl)benzohydrazide
CID 2304118
N'-[(E)-3-(4-bromophenyl)prop-2-enoyl]-4-(diethylamino)benzohydrazide
CID 9155917
N'-[4-(diethylamino)benzoyl]-4-(methylsulfonylmethyl)benzohydrazide
CID 9155961
methyl 4-[[[4-(diethylamino)benzoyl]amino]carbamoyl]benzoate
CID 9156446
4-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 5373596
N-[4-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]propanamide
CID 54790881
N'-[2-(4-bromophenyl)acetyl]-3-hydroxybenzohydrazide
CID 17457296
N'-[4-(diethylamino)benzoyl]-6-methylpyridine-3-carbohydrazide
CID 30288485
N'-[2-(4-chlorophenyl)sulfanylacetyl]-4-(diethylamino)benzohydrazide
CID 7434037
N-[[4-(diethylamino)phenyl]methyl]-2-phenylacetamide
CID 99839692
4-(diethylamino)-N'-(4-phenoxybutanoyl)benzohydrazide
CID 9156259
4-bromo-N'-[2-(3-methoxyphenyl)acetyl]benzohydrazide
CID 26912197

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromophenyl)acetyl]-4-(diethylamino)benzohydrazide?
The IUPAC name of N'-[2-(4-bromophenyl)acetyl]-4-(diethylamino)benzohydrazide (CID 9156474) is N'-[2-(4-bromophenyl)acetyl]-4-(diethylamino)benzohydrazide.
What is the SMILES notation for N'-[2-(4-bromophenyl)acetyl]-4-(diethylamino)benzohydrazide?
The canonical SMILES for N'-[2-(4-bromophenyl)acetyl]-4-(diethylamino)benzohydrazide is CCN(CC)c1ccc(C(=O)NNC(=O)Cc2ccc(Br)cc2)cc1.
What is the InChIKey of N'-[2-(4-bromophenyl)acetyl]-4-(diethylamino)benzohydrazide?
The InChIKey is LWSKBRARVNRLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O2/c1-3-23(4-2)17-11-7-15(8-12-17)19(25)22-21-18(24)13-14-5-9-16(20)10-6-14/h5-12H,3-4,13H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N'-[2-(4-bromophenyl)acetyl]-4-(diethylamino)benzohydrazide?
N'-[2-(4-bromophenyl)acetyl]-4-(diethylamino)benzohydrazide has a molecular weight of 404.31 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-bromophenyl)acetyl]-4-(diethylamino)benzohydrazide is sourced from PubChem (CID 9156474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).