N-[4-[2-(2-chlorobenzoyl)hydrazinyl]-4-oxobutyl]-2,4-difluorobenzamide

C18H16ClF2N3O3 — CID 35929500

IUPACN-[4-[2-(2-chlorobenzoyl)hydrazinyl]-4-oxobutyl]-2,4-difluorobenzamide
SMILESO=C(CCCNC(=O)c1ccc(F)cc1F)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C18H16ClF2N3O3/c19-14-5-2-1-4-12(14)18(27)24-23-16(25)6-3-9-22-17(26)13-8-7-11(20)10-15(13)21/h1-2,4-5,7-8,10H,3,6,9H2,(H,22,26)(H,23,25)(H,24,27)
InChIKeyQIMYSDCBFUXECT-UHFFFAOYSA-N
MW395.79 g/mol
LogP2.59
Rot. Bonds6

About N-[4-[2-(2-chlorobenzoyl)hydrazinyl]-4-oxobutyl]-2,4-difluorobenzamide

N-[4-[2-(2-chlorobenzoyl)hydrazinyl]-4-oxobutyl]-2,4-difluorobenzamide (PubChem CID 35929500) has the molecular formula C18H16ClF2N3O3 and a molecular weight of 395.79 g/mol. Its IUPAC name is N-[4-[2-(2-chlorobenzoyl)hydrazinyl]-4-oxobutyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[4-[2-(2-chlorobenzoyl)hydrazinyl]-4-oxobutyl]-2,4-difluorobenzamide
PubChem CID35929500
Molecular FormulaC18H16ClF2N3O3
Molecular Weight395.79 g/mol
Exact Mass395.08
IUPAC NameN-[4-[2-(2-chlorobenzoyl)hydrazinyl]-4-oxobutyl]-2,4-difluorobenzamide
SMILESO=C(CCCNC(=O)c1ccc(F)cc1F)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C18H16ClF2N3O3/c19-14-5-2-1-4-12(14)18(27)24-23-16(25)6-3-9-22-17(26)13-8-7-11(20)10-15(13)21/h1-2,4-5,7-8,10H,3,6,9H2,(H,22,26)(H,23,25)(H,24,27)
InChIKeyQIMYSDCBFUXECT-UHFFFAOYSA-N
XLogP2.59
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.79
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-difluoro-N-[3-[2-(2-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide
CID 30457128
N-[4-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-4-oxobutyl]-2,4-difluorobenzamide
CID 41483998
N-[4-(benzylamino)-4-oxobutyl]-2,4-difluorobenzamide
CID 29414441
N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
CID 35930552
N-[4-(3-chloroanilino)-4-oxobutyl]-2,4-difluorobenzamide
CID 30449515
3-[4-[(2,4-difluorobenzoyl)amino]butanoylamino]propanoic acid
CID 119176967
2,4-difluoro-N-[4-oxo-4-(pyridin-2-ylamino)butyl]benzamide
CID 51312310
2,4-difluoro-N-[4-oxo-4-[4-(phenylcarbamoylamino)anilino]butyl]benzamide
CID 30779997
2,4-difluoro-N-[4-[(3-fluorophenyl)methylamino]-4-oxobutyl]benzamide
CID 46424834
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide
CID 108538189
(2R)-2-[4-[(2,4-difluorobenzoyl)amino]butanoylamino]-3-phenylpropanoic acid
CID 119367087
N-[4-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-4-oxobutyl]-2,4-difluorobenzamide
CID 29493687

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-chlorobenzoyl)hydrazinyl]-4-oxobutyl]-2,4-difluorobenzamide?
The IUPAC name of N-[4-[2-(2-chlorobenzoyl)hydrazinyl]-4-oxobutyl]-2,4-difluorobenzamide (CID 35929500) is N-[4-[2-(2-chlorobenzoyl)hydrazinyl]-4-oxobutyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[4-[2-(2-chlorobenzoyl)hydrazinyl]-4-oxobutyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[4-[2-(2-chlorobenzoyl)hydrazinyl]-4-oxobutyl]-2,4-difluorobenzamide is O=C(CCCNC(=O)c1ccc(F)cc1F)NNC(=O)c1ccccc1Cl.
What is the InChIKey of N-[4-[2-(2-chlorobenzoyl)hydrazinyl]-4-oxobutyl]-2,4-difluorobenzamide?
The InChIKey is QIMYSDCBFUXECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF2N3O3/c19-14-5-2-1-4-12(14)18(27)24-23-16(25)6-3-9-22-17(26)13-8-7-11(20)10-15(13)21/h1-2,4-5,7-8,10H,3,6,9H2,(H,22,26)(H,23,25)(H,24,27).
What are the key properties of N-[4-[2-(2-chlorobenzoyl)hydrazinyl]-4-oxobutyl]-2,4-difluorobenzamide?
N-[4-[2-(2-chlorobenzoyl)hydrazinyl]-4-oxobutyl]-2,4-difluorobenzamide has a molecular weight of 395.79 g/mol, XLogP of 2.59, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-chlorobenzoyl)hydrazinyl]-4-oxobutyl]-2,4-difluorobenzamide is sourced from PubChem (CID 35929500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).