N-(3-chlorophenyl)-4-pyrrolidin-1-ylphthalazine-1-carboxamide

C19H17ClN4O — CID 42690640

IUPACN-(3-chlorophenyl)-4-pyrrolidin-1-ylphthalazine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1nnc(N2CCCC2)c2ccccc12
InChIInChI=1S/C19H17ClN4O/c20-13-6-5-7-14(12-13)21-19(25)17-15-8-1-2-9-16(15)18(23-22-17)24-10-3-4-11-24/h1-2,5-9,12H,3-4,10-11H2,(H,21,25)
InChIKeyNHIVGGLLOLYHJF-UHFFFAOYSA-N
MW352.83 g/mol
LogP4.14
Rot. Bonds3

About N-(3-chlorophenyl)-4-pyrrolidin-1-ylphthalazine-1-carboxamide

N-(3-chlorophenyl)-4-pyrrolidin-1-ylphthalazine-1-carboxamide (PubChem CID 42690640) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-pyrrolidin-1-ylphthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-pyrrolidin-1-ylphthalazine-1-carboxamide
PubChem CID42690640
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC NameN-(3-chlorophenyl)-4-pyrrolidin-1-ylphthalazine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1nnc(N2CCCC2)c2ccccc12
InChIInChI=1S/C19H17ClN4O/c20-13-6-5-7-14(12-13)21-19(25)17-15-8-1-2-9-16(15)18(23-22-17)24-10-3-4-11-24/h1-2,5-9,12H,3-4,10-11H2,(H,21,25)
InChIKeyNHIVGGLLOLYHJF-UHFFFAOYSA-N
XLogP4.14
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropylphthalazine-1-carboxamide
CID 42690921
N-(3-chlorophenyl)-5-piperidin-1-ylpyridine-3-carboxamide
CID 109226552
6-(azetidin-1-yl)-5-chloro-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 25176419
4-[4-(2-fluorophenyl)piperazin-1-yl]-N-phenylphthalazine-1-carboxamide
CID 42878251
4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-phenylethyl)phthalazine-1-carboxamide
CID 42690916
4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)phthalazine-1-carboxamide
CID 42690680
N-(3-chlorophenyl)-2-methyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidine-6-carboxamide
CID 53190858
N-(3-chlorophenyl)-1-(4-ethylpiperazin-1-yl)isoquinoline-4-carboxamide
CID 122174520
4-piperidin-1-yl-N-(2-pyrrolidin-1-ylethyl)phthalazine-1-carboxamide
CID 42690593
4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)phthalazine-1-carboxamide
CID 42878384
N-(2-phenoxyethyl)-4-pyrrolidin-1-ylphthalazine-1-carboxamide
CID 42690654
N-(3-chlorophenyl)-4-(6-piperidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334555

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-pyrrolidin-1-ylphthalazine-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-pyrrolidin-1-ylphthalazine-1-carboxamide (CID 42690640) is N-(3-chlorophenyl)-4-pyrrolidin-1-ylphthalazine-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-pyrrolidin-1-ylphthalazine-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-pyrrolidin-1-ylphthalazine-1-carboxamide is O=C(Nc1cccc(Cl)c1)c1nnc(N2CCCC2)c2ccccc12.
What is the InChIKey of N-(3-chlorophenyl)-4-pyrrolidin-1-ylphthalazine-1-carboxamide?
The InChIKey is NHIVGGLLOLYHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O/c20-13-6-5-7-14(12-13)21-19(25)17-15-8-1-2-9-16(15)18(23-22-17)24-10-3-4-11-24/h1-2,5-9,12H,3-4,10-11H2,(H,21,25).
What are the key properties of N-(3-chlorophenyl)-4-pyrrolidin-1-ylphthalazine-1-carboxamide?
N-(3-chlorophenyl)-4-pyrrolidin-1-ylphthalazine-1-carboxamide has a molecular weight of 352.83 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-pyrrolidin-1-ylphthalazine-1-carboxamide is sourced from PubChem (CID 42690640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).