N-[1-(4-chlorophenyl)-3-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-3-oxopropyl]acetamide

C19H19ClFN3O3 — CID 51195838

IUPACN-[1-(4-chlorophenyl)-3-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-3-oxopropyl]acetamide
SMILESCC(=O)NC(CC(=O)NNC(=O)Cc1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClFN3O3/c1-12(25)22-17(14-4-6-15(20)7-5-14)11-19(27)24-23-18(26)10-13-2-8-16(21)9-3-13/h2-9,17H,10-11H2,1H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyJMFFFKGZVTVJDT-UHFFFAOYSA-N
MW391.83 g/mol
LogP2.44
Rot. Bonds6

About N-[1-(4-chlorophenyl)-3-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-3-oxopropyl]acetamide

N-[1-(4-chlorophenyl)-3-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-3-oxopropyl]acetamide (PubChem CID 51195838) has the molecular formula C19H19ClFN3O3 and a molecular weight of 391.83 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-3-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-3-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-3-oxopropyl]acetamide
PubChem CID51195838
Molecular FormulaC19H19ClFN3O3
Molecular Weight391.83 g/mol
Exact Mass391.11
IUPAC NameN-[1-(4-chlorophenyl)-3-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-3-oxopropyl]acetamide
SMILESCC(=O)NC(CC(=O)NNC(=O)Cc1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClFN3O3/c1-12(25)22-17(14-4-6-15(20)7-5-14)11-19(27)24-23-18(26)10-13-2-8-16(21)9-3-13/h2-9,17H,10-11H2,1H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyJMFFFKGZVTVJDT-UHFFFAOYSA-N
XLogP2.44
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.83
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-acetamido-3-(4-chlorophenyl)-N-(3,5-difluorophenyl)propanamide
CID 51271181
3-acetamido-3-(4-chlorophenyl)-N-(4-fluoro-2-methylphenyl)propanamide
CID 51195587
(3S)-3-acetamido-3-(4-chlorophenyl)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]propanamide
CID 41355345
methyl (3S)-3-acetamido-3-(4-chlorophenyl)propanoate
CID 11391194
N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxo-1-phenylpropyl]acetamide
CID 4789962
methyl 3-(4-chlorophenyl)-3-[[2-(4-chlorophenyl)acetyl]amino]propanoate
CID 60520015
(3R)-3-acetamido-3-(4-chlorophenyl)-N-[(6-oxo-1H-pyridin-3-yl)methyl]propanamide
CID 95352314
(3S)-3-acetamido-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 40939423
ethyl (3R)-3-acetamido-3-(4-chlorophenyl)propanoate
CID 11425680
3-acetamido-N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 46520293
3-acetamido-N-(1-amino-1-oxopropan-2-yl)-3-(4-chlorophenyl)propanamide
CID 134045689
N-[1-(4-chlorophenyl)-3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-3-oxopropyl]acetamide
CID 54345971

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-3-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-3-oxopropyl]acetamide?
The IUPAC name of N-[1-(4-chlorophenyl)-3-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-3-oxopropyl]acetamide (CID 51195838) is N-[1-(4-chlorophenyl)-3-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-3-oxopropyl]acetamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-3-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-3-oxopropyl]acetamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-3-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-3-oxopropyl]acetamide is CC(=O)NC(CC(=O)NNC(=O)Cc1ccc(F)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-3-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-3-oxopropyl]acetamide?
The InChIKey is JMFFFKGZVTVJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN3O3/c1-12(25)22-17(14-4-6-15(20)7-5-14)11-19(27)24-23-18(26)10-13-2-8-16(21)9-3-13/h2-9,17H,10-11H2,1H3,(H,22,25)(H,23,26)(H,24,27).
What are the key properties of N-[1-(4-chlorophenyl)-3-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-3-oxopropyl]acetamide?
N-[1-(4-chlorophenyl)-3-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-3-oxopropyl]acetamide has a molecular weight of 391.83 g/mol, XLogP of 2.44, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-3-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-3-oxopropyl]acetamide is sourced from PubChem (CID 51195838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).