N'-[2-(4-bromophenoxy)acetyl]-3-methoxy-4-propan-2-yloxybenzohydrazide

C19H21BrN2O5 — CID 26655569

IUPACN'-[2-(4-bromophenoxy)acetyl]-3-methoxy-4-propan-2-yloxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)COc2ccc(Br)cc2)ccc1OC(C)C
InChIInChI=1S/C19H21BrN2O5/c1-12(2)27-16-9-4-13(10-17(16)25-3)19(24)22-21-18(23)11-26-15-7-5-14(20)6-8-15/h4-10,12H,11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyQYRRIDBAWIGBRX-UHFFFAOYSA-N
MW437.29 g/mol
LogP3.08
Rot. Bonds7

About N'-[2-(4-bromophenoxy)acetyl]-3-methoxy-4-propan-2-yloxybenzohydrazide

N'-[2-(4-bromophenoxy)acetyl]-3-methoxy-4-propan-2-yloxybenzohydrazide (PubChem CID 26655569) has the molecular formula C19H21BrN2O5 and a molecular weight of 437.29 g/mol. Its IUPAC name is N'-[2-(4-bromophenoxy)acetyl]-3-methoxy-4-propan-2-yloxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-bromophenoxy)acetyl]-3-methoxy-4-propan-2-yloxybenzohydrazide
PubChem CID26655569
Molecular FormulaC19H21BrN2O5
Molecular Weight437.29 g/mol
Exact Mass436.06
IUPAC NameN'-[2-(4-bromophenoxy)acetyl]-3-methoxy-4-propan-2-yloxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)COc2ccc(Br)cc2)ccc1OC(C)C
InChIInChI=1S/C19H21BrN2O5/c1-12(2)27-16-9-4-13(10-17(16)25-3)19(24)22-21-18(23)11-26-15-7-5-14(20)6-8-15/h4-10,12H,11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyQYRRIDBAWIGBRX-UHFFFAOYSA-N
XLogP3.08
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.29
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-4-methoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
CID 3368075
N'-acetyl-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 46656614
N'-[4-(difluoromethoxy)benzoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 26655758
3-methoxy-N'-[2-(2-methylphenyl)acetyl]-4-propan-2-yloxybenzohydrazide
CID 8621917
N'-[2-(4-bromophenoxy)propanoyl]-4-ethoxy-3-methoxybenzohydrazide
CID 42910218
5-bromo-N'-[2-(4-methylphenoxy)acetyl]-2-propan-2-yloxybenzohydrazide
CID 17051707
N'-[2-(4-cyanophenoxy)acetyl]-4-(difluoromethoxy)-3-methoxybenzohydrazide
CID 7978485
3-methoxy-N'-[2-(2-methoxyphenyl)acetyl]-4-propan-2-yloxybenzohydrazide
CID 4798027
N-(4-methoxyphenyl)-2-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]sulfanylacetamide
CID 46521462
3-methoxy-N'-(3-phenylpropanoyl)-4-propan-2-yloxybenzohydrazide
CID 7972010
N-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]-2-methylbutanamide
CID 55930339
3-methoxy-N'-[2-(4-methylanilino)acetyl]-4-propan-2-yloxybenzohydrazide
CID 55348617

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromophenoxy)acetyl]-3-methoxy-4-propan-2-yloxybenzohydrazide?
The IUPAC name of N'-[2-(4-bromophenoxy)acetyl]-3-methoxy-4-propan-2-yloxybenzohydrazide (CID 26655569) is N'-[2-(4-bromophenoxy)acetyl]-3-methoxy-4-propan-2-yloxybenzohydrazide.
What is the SMILES notation for N'-[2-(4-bromophenoxy)acetyl]-3-methoxy-4-propan-2-yloxybenzohydrazide?
The canonical SMILES for N'-[2-(4-bromophenoxy)acetyl]-3-methoxy-4-propan-2-yloxybenzohydrazide is COc1cc(C(=O)NNC(=O)COc2ccc(Br)cc2)ccc1OC(C)C.
What is the InChIKey of N'-[2-(4-bromophenoxy)acetyl]-3-methoxy-4-propan-2-yloxybenzohydrazide?
The InChIKey is QYRRIDBAWIGBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O5/c1-12(2)27-16-9-4-13(10-17(16)25-3)19(24)22-21-18(23)11-26-15-7-5-14(20)6-8-15/h4-10,12H,11H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N'-[2-(4-bromophenoxy)acetyl]-3-methoxy-4-propan-2-yloxybenzohydrazide?
N'-[2-(4-bromophenoxy)acetyl]-3-methoxy-4-propan-2-yloxybenzohydrazide has a molecular weight of 437.29 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-bromophenoxy)acetyl]-3-methoxy-4-propan-2-yloxybenzohydrazide is sourced from PubChem (CID 26655569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).