2-(3-bromophenoxy)-N'-[(4S)-4-phenylcyclohexen-1-yl]acetohydrazide

C20H21BrN2O2 — CID 2400029

IUPAC2-(3-bromophenoxy)-N'-[(4S)-4-phenylcyclohexen-1-yl]acetohydrazide
SMILESO=C(COc1cccc(Br)c1)NNC1=CC[C@@H](c2ccccc2)CC1
InChIInChI=1S/C20H21BrN2O2/c21-17-7-4-8-19(13-17)25-14-20(24)23-22-18-11-9-16(10-12-18)15-5-2-1-3-6-15/h1-8,11,13,16,22H,9-10,12,14H2,(H,23,24)/t16-/m1/s1
InChIKeyOZFLBUGYJCDOGA-MRXNPFEDSA-N
MW401.30 g/mol
LogP4.30
Rot. Bonds6

About 2-(3-bromophenoxy)-N'-[(4S)-4-phenylcyclohexen-1-yl]acetohydrazide

2-(3-bromophenoxy)-N'-[(4S)-4-phenylcyclohexen-1-yl]acetohydrazide (PubChem CID 2400029) has the molecular formula C20H21BrN2O2 and a molecular weight of 401.30 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N'-[(4S)-4-phenylcyclohexen-1-yl]acetohydrazide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N'-[(4S)-4-phenylcyclohexen-1-yl]acetohydrazide
PubChem CID2400029
Molecular FormulaC20H21BrN2O2
Molecular Weight401.30 g/mol
Exact Mass400.08
IUPAC Name2-(3-bromophenoxy)-N'-[(4S)-4-phenylcyclohexen-1-yl]acetohydrazide
SMILESO=C(COc1cccc(Br)c1)NNC1=CC[C@@H](c2ccccc2)CC1
InChIInChI=1S/C20H21BrN2O2/c21-17-7-4-8-19(13-17)25-14-20(24)23-22-18-11-9-16(10-12-18)15-5-2-1-3-6-15/h1-8,11,13,16,22H,9-10,12,14H2,(H,23,24)/t16-/m1/s1
InChIKeyOZFLBUGYJCDOGA-MRXNPFEDSA-N
XLogP4.30
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.30
LogP ≤ 54.30
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

2-anilino-N'-[2-(3-bromophenoxy)acetyl]acetohydrazide
CID 17435498
2-(2-bromophenoxy)-N'-(4-methylcyclohexen-1-yl)acetohydrazide
CID 4251579
N'-(cyclohexen-1-yl)-2-phenoxyacetohydrazide
CID 4621301
cis-(1R,3S)-3-[[2-(3-bromophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 106321314
2-(3-bromophenoxy)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide
CID 65119112
2-(3-bromophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide
CID 8503013
2-(3-bromophenoxy)-N-[(1R)-2,2,2-trichloro-1-hydroxyethyl]acetamide
CID 42280281
2-(3-bromophenoxy)-N-methoxyacetamide
CID 60700558
2-(3-bromophenoxy)-N-(cyclododecylideneamino)acetamide
CID 4598925
2-(3-bromophenoxy)-N'-(2-phenoxyacetyl)propanehydrazide
CID 51161488
N-(2-amino-1-cyclopropylethyl)-2-(3-bromophenoxy)acetamide;hydrochloride
CID 119616000
2-[[2-(3-bromophenoxy)acetyl]amino]butanoic acid
CID 43387178

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N'-[(4S)-4-phenylcyclohexen-1-yl]acetohydrazide?
The IUPAC name of 2-(3-bromophenoxy)-N'-[(4S)-4-phenylcyclohexen-1-yl]acetohydrazide (CID 2400029) is 2-(3-bromophenoxy)-N'-[(4S)-4-phenylcyclohexen-1-yl]acetohydrazide.
What is the SMILES notation for 2-(3-bromophenoxy)-N'-[(4S)-4-phenylcyclohexen-1-yl]acetohydrazide?
The canonical SMILES for 2-(3-bromophenoxy)-N'-[(4S)-4-phenylcyclohexen-1-yl]acetohydrazide is O=C(COc1cccc(Br)c1)NNC1=CC[C@@H](c2ccccc2)CC1.
What is the InChIKey of 2-(3-bromophenoxy)-N'-[(4S)-4-phenylcyclohexen-1-yl]acetohydrazide?
The InChIKey is OZFLBUGYJCDOGA-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H21BrN2O2/c21-17-7-4-8-19(13-17)25-14-20(24)23-22-18-11-9-16(10-12-18)15-5-2-1-3-6-15/h1-8,11,13,16,22H,9-10,12,14H2,(H,23,24)/t16-/m1/s1.
What are the key properties of 2-(3-bromophenoxy)-N'-[(4S)-4-phenylcyclohexen-1-yl]acetohydrazide?
2-(3-bromophenoxy)-N'-[(4S)-4-phenylcyclohexen-1-yl]acetohydrazide has a molecular weight of 401.30 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N'-[(4S)-4-phenylcyclohexen-1-yl]acetohydrazide is sourced from PubChem (CID 2400029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).