N-(3-chloro-4-fluorophenyl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide

C17H17ClFN3O2 — CID 75466057

IUPACN-(3-chloro-4-fluorophenyl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide
SMILESO=C(Cn1nc2c(cc1=O)CCCCC2)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H17ClFN3O2/c18-13-9-12(6-7-14(13)19)20-16(23)10-22-17(24)8-11-4-2-1-3-5-15(11)21-22/h6-9H,1-5,10H2,(H,20,23)
InChIKeyMVLVCWGOFNDWKD-UHFFFAOYSA-N
MW349.79 g/mol
LogP2.94
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide

N-(3-chloro-4-fluorophenyl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide (PubChem CID 75466057) has the molecular formula C17H17ClFN3O2 and a molecular weight of 349.79 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide
PubChem CID75466057
Molecular FormulaC17H17ClFN3O2
Molecular Weight349.79 g/mol
Exact Mass349.10
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide
SMILESO=C(Cn1nc2c(cc1=O)CCCCC2)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H17ClFN3O2/c18-13-9-12(6-7-14(13)19)20-16(23)10-22-17(24)8-11-4-2-1-3-5-15(11)21-22/h6-9H,1-5,10H2,(H,20,23)
InChIKeyMVLVCWGOFNDWKD-UHFFFAOYSA-N
XLogP2.94
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.79
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetyl]amino]benzoate
CID 52902310
N-(5-chloro-2-methoxyphenyl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide
CID 75466080
N-(3-chloro-4-fluorophenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)acetamide
CID 22577823
N-(3-methoxyphenyl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide
CID 52900394
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
CID 46360908
N-(6-methoxy-3-pyridinyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
CID 53370439
N-[(2-chlorophenyl)methyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide
CID 52900423
2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-propan-2-ylacetamide
CID 52903099
N-(3-chloro-4-fluorophenyl)-2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 51043652
N-(3-chloro-4-fluorophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 23609017
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
CID 53368461
N-[2-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]propanamide
CID 50813110

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide (CID 75466057) is N-(3-chloro-4-fluorophenyl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide is O=C(Cn1nc2c(cc1=O)CCCCC2)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide?
The InChIKey is MVLVCWGOFNDWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN3O2/c18-13-9-12(6-7-14(13)19)20-16(23)10-22-17(24)8-11-4-2-1-3-5-15(11)21-22/h6-9H,1-5,10H2,(H,20,23).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide?
N-(3-chloro-4-fluorophenyl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide has a molecular weight of 349.79 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide is sourced from PubChem (CID 75466057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).