4-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide

C19H19BrClN3O4 — CID 4501866

IUPAC4-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide
SMILESCc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C19H19BrClN3O4/c1-12-15(21)3-2-4-16(12)22-17(25)9-10-18(26)23-24-19(27)11-28-14-7-5-13(20)6-8-14/h2-8H,9-11H2,1H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyVWQVDZYAFXHCBJ-UHFFFAOYSA-N
MW468.74 g/mol
LogP3.36
Rot. Bonds7

About 4-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide

4-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide (PubChem CID 4501866) has the molecular formula C19H19BrClN3O4 and a molecular weight of 468.74 g/mol. Its IUPAC name is 4-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide
PubChem CID4501866
Molecular FormulaC19H19BrClN3O4
Molecular Weight468.74 g/mol
Exact Mass467.02
IUPAC Name4-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide
SMILESCc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C19H19BrClN3O4/c1-12-15(21)3-2-4-16(12)22-17(25)9-10-18(26)23-24-19(27)11-28-14-7-5-13(20)6-8-14/h2-8H,9-11H2,1H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyVWQVDZYAFXHCBJ-UHFFFAOYSA-N
XLogP3.36
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.74
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-2-methylphenyl)-4-oxo-4-[2-[2-(4-phenylphenoxy)acetyl]hydrazinyl]butanamide
CID 4512967
4-(4-bromophenoxy)-N-(3-chloro-2-methylphenyl)butanamide
CID 18292221
4-[2-[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide
CID 3550722
4-[2-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide
CID 3341674
N-(3-chloro-2-methylphenyl)-2-(4-methylphenoxy)acetamide
CID 759065
4-[2-[2-(4-bromo-2-tert-butylphenoxy)acetyl]hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide
CID 17051812
N-(3-chloro-2-methylphenyl)-4-[2-(4-ethoxybenzoyl)hydrazinyl]-4-oxobutanamide
CID 4948709
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
4-[2-[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide
CID 3997287
N-(3-chloro-2-methylphenyl)-4-[2-[2-(2,4-dichlorophenoxy)acetyl]hydrazinyl]-4-oxobutanamide
CID 3516306
4-[2-(5-bromo-2-ethoxybenzoyl)hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide
CID 17353033
N-(2-chlorophenyl)-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)acetyl]hydrazinyl]butanamide
CID 4513816

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide?
The IUPAC name of 4-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide (CID 4501866) is 4-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide.
What is the SMILES notation for 4-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide?
The canonical SMILES for 4-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide is Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)COc1ccc(Br)cc1.
What is the InChIKey of 4-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide?
The InChIKey is VWQVDZYAFXHCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrClN3O4/c1-12-15(21)3-2-4-16(12)22-17(25)9-10-18(26)23-24-19(27)11-28-14-7-5-13(20)6-8-14/h2-8H,9-11H2,1H3,(H,22,25)(H,23,26)(H,24,27).
What are the key properties of 4-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide?
4-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide has a molecular weight of 468.74 g/mol, XLogP of 3.36, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide is sourced from PubChem (CID 4501866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).