N-(2-hydroxyethyl)-4-[(4-methylphthalazin-1-yl)amino]benzamide

C18H18N4O2 — CID 656150

IUPACN-(2-hydroxyethyl)-4-[(4-methylphthalazin-1-yl)amino]benzamide
SMILESCc1nnc(Nc2ccc(C(=O)NCCO)cc2)c2ccccc12
InChIInChI=1S/C18H18N4O2/c1-12-15-4-2-3-5-16(15)17(22-21-12)20-14-8-6-13(7-9-14)18(24)19-10-11-23/h2-9,23H,10-11H2,1H3,(H,19,24)(H,20,22)
InChIKeyOBCYUADYGHLOJJ-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.40
Rot. Bonds5

About N-(2-hydroxyethyl)-4-[(4-methylphthalazin-1-yl)amino]benzamide

N-(2-hydroxyethyl)-4-[(4-methylphthalazin-1-yl)amino]benzamide (PubChem CID 656150) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-[(4-methylphthalazin-1-yl)amino]benzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-[(4-methylphthalazin-1-yl)amino]benzamide
PubChem CID656150
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-(2-hydroxyethyl)-4-[(4-methylphthalazin-1-yl)amino]benzamide
SMILESCc1nnc(Nc2ccc(C(=O)NCCO)cc2)c2ccccc12
InChIInChI=1S/C18H18N4O2/c1-12-15-4-2-3-5-16(15)17(22-21-12)20-14-8-6-13(7-9-14)18(24)19-10-11-23/h2-9,23H,10-11H2,1H3,(H,19,24)(H,20,22)
InChIKeyOBCYUADYGHLOJJ-UHFFFAOYSA-N
XLogP2.40
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-(4-Tert-butylphenylamino)phthalazin-1-yl)benzamide
CID 5298698
4-(4-p-Tolylamino-phthalazin-1-yl)-benzamide
CID 1416020
4-(4-(m-Tolylamino)phthalazin-1-yl)benzamide
CID 1416247
N-methyl-4-[(4-methylphthalazin-1-yl)amino]benzamide
CID 626021
4-({4-[4-(diethylcarbamoyl)phenyl]phthalazin-1-yl}amino)-N,N-dimethylbenzamide
CID 1387594
2-[4-(4-Phenyl-phthalazin-1-ylamino)-phenyl]-acetamide
CID 1385107
4-[4-[4-(Methylcarbamoyl)anilino]phthalazin-1-yl]benzamide
CID 1418252
4-[4-(benzylamino)phthalazin-1-yl]-N,N-dimethylbenzamide
CID 2896280
1-[4-[[6-(2-Methylphenyl)pyridazin-3-yl]amino]phenyl]ethanone
CID 6411200
2-methyl-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7422445
3-(4-(4-Tert-butylphenylamino)phthalazin-1-yl)benzamide
CID 44402864
4-(4-(4-tert-butylphenylamino)phthalazin-1-yl)-N-methylbenzamide
CID 44402866

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-[(4-methylphthalazin-1-yl)amino]benzamide?
The IUPAC name of N-(2-hydroxyethyl)-4-[(4-methylphthalazin-1-yl)amino]benzamide (CID 656150) is N-(2-hydroxyethyl)-4-[(4-methylphthalazin-1-yl)amino]benzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-[(4-methylphthalazin-1-yl)amino]benzamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-[(4-methylphthalazin-1-yl)amino]benzamide is Cc1nnc(Nc2ccc(C(=O)NCCO)cc2)c2ccccc12.
What is the InChIKey of N-(2-hydroxyethyl)-4-[(4-methylphthalazin-1-yl)amino]benzamide?
The InChIKey is OBCYUADYGHLOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-12-15-4-2-3-5-16(15)17(22-21-12)20-14-8-6-13(7-9-14)18(24)19-10-11-23/h2-9,23H,10-11H2,1H3,(H,19,24)(H,20,22).
What are the key properties of N-(2-hydroxyethyl)-4-[(4-methylphthalazin-1-yl)amino]benzamide?
N-(2-hydroxyethyl)-4-[(4-methylphthalazin-1-yl)amino]benzamide has a molecular weight of 322.37 g/mol, XLogP of 2.40, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-[(4-methylphthalazin-1-yl)amino]benzamide is sourced from PubChem (CID 656150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).