(4-chlorophenyl) N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate

C17H12ClN3O3 — CID 70516403

IUPAC(4-chlorophenyl) N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate
SMILESO=C(Nc1ccc(-c2ccc(=O)[nH]n2)cc1)Oc1ccc(Cl)cc1
InChIInChI=1S/C17H12ClN3O3/c18-12-3-7-14(8-4-12)24-17(23)19-13-5-1-11(2-6-13)15-9-10-16(22)21-20-15/h1-10H,(H,19,23)(H,21,22)
InChIKeyISOPAKMTGBMIIB-UHFFFAOYSA-N
MW341.75 g/mol
LogP3.70
Rot. Bonds3

About (4-chlorophenyl) N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate

(4-chlorophenyl) N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate (PubChem CID 70516403) has the molecular formula C17H12ClN3O3 and a molecular weight of 341.75 g/mol. Its IUPAC name is (4-chlorophenyl) N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate.

Molecular Properties

Compound Name(4-chlorophenyl) N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate
PubChem CID70516403
Molecular FormulaC17H12ClN3O3
Molecular Weight341.75 g/mol
Exact Mass341.06
IUPAC Name(4-chlorophenyl) N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate
SMILESO=C(Nc1ccc(-c2ccc(=O)[nH]n2)cc1)Oc1ccc(Cl)cc1
InChIInChI=1S/C17H12ClN3O3/c18-12-3-7-14(8-4-12)24-17(23)19-13-5-1-11(2-6-13)15-9-10-16(22)21-20-15/h1-10H,(H,19,23)(H,21,22)
InChIKeyISOPAKMTGBMIIB-UHFFFAOYSA-N
XLogP3.70
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.75
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4-chlorophenyl) N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-cyanophenyl) N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate
CID 70518559
[4-[(4-chlorophenyl)carbamoylamino]phenyl] N-(4-chlorophenyl)carbamate
CID 1381182
3-chloropropyl N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate
CID 70517249
2-bromoethyl N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate
CID 70522133
cyclobutyl N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate
CID 70516961
1-chlorobutan-2-yl N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate
CID 70517104
2-methoxy-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 70517834
2-fluoro-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 70518619
3-methoxy-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]propanamide
CID 70515718
1-chloro-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]cyclobutane-1-carboxamide
CID 70518361
3-[4-(2-aminoethoxy)phenyl]-1H-pyridazin-6-one
CID 14884403
2,2-dimethyl-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide
CID 70518829

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl) N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate?
The IUPAC name of (4-chlorophenyl) N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate (CID 70516403) is (4-chlorophenyl) N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate.
What is the SMILES notation for (4-chlorophenyl) N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate?
The canonical SMILES for (4-chlorophenyl) N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate is O=C(Nc1ccc(-c2ccc(=O)[nH]n2)cc1)Oc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl) N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate?
The InChIKey is ISOPAKMTGBMIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O3/c18-12-3-7-14(8-4-12)24-17(23)19-13-5-1-11(2-6-13)15-9-10-16(22)21-20-15/h1-10H,(H,19,23)(H,21,22).
What are the key properties of (4-chlorophenyl) N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate?
(4-chlorophenyl) N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate has a molecular weight of 341.75 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl) N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate is sourced from PubChem (CID 70516403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).