N'-[2-(1-adamantyl)acetyl]-3-bromobenzohydrazide

C19H23BrN2O2 — CID 40596742

IUPACN'-[2-(1-adamantyl)acetyl]-3-bromobenzohydrazide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)c1cccc(Br)c1
InChIInChI=1S/C19H23BrN2O2/c20-16-3-1-2-15(7-16)18(24)22-21-17(23)11-19-8-12-4-13(9-19)6-14(5-12)10-19/h1-3,7,12-14H,4-6,8-11H2,(H,21,23)(H,22,24)
InChIKeyFHYXNAUZVWBFHB-UHFFFAOYSA-N
MW391.31 g/mol
LogP3.82
Rot. Bonds3

About N'-[2-(1-adamantyl)acetyl]-3-bromobenzohydrazide

N'-[2-(1-adamantyl)acetyl]-3-bromobenzohydrazide (PubChem CID 40596742) has the molecular formula C19H23BrN2O2 and a molecular weight of 391.31 g/mol. Its IUPAC name is N'-[2-(1-adamantyl)acetyl]-3-bromobenzohydrazide.

Molecular Properties

Compound NameN'-[2-(1-adamantyl)acetyl]-3-bromobenzohydrazide
PubChem CID40596742
Molecular FormulaC19H23BrN2O2
Molecular Weight391.31 g/mol
Exact Mass390.09
IUPAC NameN'-[2-(1-adamantyl)acetyl]-3-bromobenzohydrazide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)c1cccc(Br)c1
InChIInChI=1S/C19H23BrN2O2/c20-16-3-1-2-15(7-16)18(24)22-21-17(23)11-19-8-12-4-13(9-19)6-14(5-12)10-19/h1-3,7,12-14H,4-6,8-11H2,(H,21,23)(H,22,24)
InChIKeyFHYXNAUZVWBFHB-UHFFFAOYSA-N
XLogP3.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.31
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]phenyl]methanesulfonamide
CID 18107728
N-[3-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]phenyl]-2,2-dimethylpropanamide
CID 134027331
N-(1-adamantylmethyl)-3-bromobenzamide
CID 4674117
N'-[2-(1-adamantyl)acetyl]pyridine-3-carbohydrazide
CID 26641233
N'-[2-(1-adamantyl)acetyl]-4-fluorobenzohydrazide
CID 7742285
N'-[2-(1-adamantyl)acetyl]-2-chloropyridine-4-carbohydrazide
CID 34056969
N'-[2-(1-adamantyl)acetyl]-4-tert-butylbenzohydrazide
CID 7917870
N'-[2-(1-adamantyl)acetyl]-3-ethoxy-4-methoxybenzohydrazide
CID 26177229
2-(1-adamantyl)-N-[2-(3-bromoanilino)-2-oxoethyl]acetamide
CID 9341253
N'-[2-(1-adamantyl)acetyl]-3,5-dimethoxybenzohydrazide
CID 7742291
N'-[2-(1-adamantyl)acetyl]-5-bromofuran-2-carbohydrazide
CID 26177274
N-[(2S)-1-[2-[2-(1-adamantyl)acetyl]hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide
CID 9326208

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1-adamantyl)acetyl]-3-bromobenzohydrazide?
The IUPAC name of N'-[2-(1-adamantyl)acetyl]-3-bromobenzohydrazide (CID 40596742) is N'-[2-(1-adamantyl)acetyl]-3-bromobenzohydrazide.
What is the SMILES notation for N'-[2-(1-adamantyl)acetyl]-3-bromobenzohydrazide?
The canonical SMILES for N'-[2-(1-adamantyl)acetyl]-3-bromobenzohydrazide is O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)c1cccc(Br)c1.
What is the InChIKey of N'-[2-(1-adamantyl)acetyl]-3-bromobenzohydrazide?
The InChIKey is FHYXNAUZVWBFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O2/c20-16-3-1-2-15(7-16)18(24)22-21-17(23)11-19-8-12-4-13(9-19)6-14(5-12)10-19/h1-3,7,12-14H,4-6,8-11H2,(H,21,23)(H,22,24).
What are the key properties of N'-[2-(1-adamantyl)acetyl]-3-bromobenzohydrazide?
N'-[2-(1-adamantyl)acetyl]-3-bromobenzohydrazide has a molecular weight of 391.31 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1-adamantyl)acetyl]-3-bromobenzohydrazide is sourced from PubChem (CID 40596742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).