4-chloro-N-[(3-chlorophenyl)methylideneamino]phthalazin-1-amine

C15H10Cl2N4 — CID 1386432

IUPAC4-chloro-N-[(3-chlorophenyl)methylideneamino]phthalazin-1-amine
SMILESClc1cccc(C=NNc2nnc(Cl)c3ccccc23)c1
InChIInChI=1S/C15H10Cl2N4/c16-11-5-3-4-10(8-11)9-18-20-15-13-7-2-1-6-12(13)14(17)19-21-15/h1-9H,(H,20,21)
InChIKeyRKMAFNOHYOPCMP-UHFFFAOYSA-N
MW317.18 g/mol
LogP4.38
Rot. Bonds3

About 4-chloro-N-[(3-chlorophenyl)methylideneamino]phthalazin-1-amine

4-chloro-N-[(3-chlorophenyl)methylideneamino]phthalazin-1-amine (PubChem CID 1386432) has the molecular formula C15H10Cl2N4 and a molecular weight of 317.18 g/mol. Its IUPAC name is 4-chloro-N-[(3-chlorophenyl)methylideneamino]phthalazin-1-amine.

Molecular Properties

Compound Name4-chloro-N-[(3-chlorophenyl)methylideneamino]phthalazin-1-amine
PubChem CID1386432
Molecular FormulaC15H10Cl2N4
Molecular Weight317.18 g/mol
Exact Mass316.03
IUPAC Name4-chloro-N-[(3-chlorophenyl)methylideneamino]phthalazin-1-amine
SMILESClc1cccc(C=NNc2nnc(Cl)c3ccccc23)c1
InChIInChI=1S/C15H10Cl2N4/c16-11-5-3-4-10(8-11)9-18-20-15-13-7-2-1-6-12(13)14(17)19-21-15/h1-9H,(H,20,21)
InChIKeyRKMAFNOHYOPCMP-UHFFFAOYSA-N
XLogP4.38
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,6-dibromo-4-[[(4-chlorophthalazin-1-yl)hydrazinylidene]methyl]phenol
CID 3589514
3-[(E)-[[4-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol
CID 92856506
4-chloro-N-[(Z)-(4-methoxyphenyl)methylideneamino]phthalazin-1-amine
CID 5409694
N-[(2-bromophenyl)methylideneamino]-4-chlorophthalazin-1-amine
CID 1385516
N-[(E)-(3-chlorophenyl)methylideneamino]aniline
CID 12732295
4-chloro-2-[(E)-[[4-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol
CID 135508919
2-N-[(3-chlorophenyl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 3092796
1-N,4-N-bis[(E)-(4-methylphenyl)methylideneamino]phthalazine-1,4-diamine
CID 71482556
N-[(Z)-benzylideneamino]-3-chloroaniline
CID 6444517
N-[(Z)-(3-chlorophenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 6162877
N-[(Z)-(4-chlorophenyl)methylideneamino]phthalazin-1-amine
CID 6111828
N-[(3-chlorophenyl)methylideneamino]-2,4-difluoroaniline
CID 5195808

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3-chlorophenyl)methylideneamino]phthalazin-1-amine?
The IUPAC name of 4-chloro-N-[(3-chlorophenyl)methylideneamino]phthalazin-1-amine (CID 1386432) is 4-chloro-N-[(3-chlorophenyl)methylideneamino]phthalazin-1-amine.
What is the SMILES notation for 4-chloro-N-[(3-chlorophenyl)methylideneamino]phthalazin-1-amine?
The canonical SMILES for 4-chloro-N-[(3-chlorophenyl)methylideneamino]phthalazin-1-amine is Clc1cccc(C=NNc2nnc(Cl)c3ccccc23)c1.
What is the InChIKey of 4-chloro-N-[(3-chlorophenyl)methylideneamino]phthalazin-1-amine?
The InChIKey is RKMAFNOHYOPCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N4/c16-11-5-3-4-10(8-11)9-18-20-15-13-7-2-1-6-12(13)14(17)19-21-15/h1-9H,(H,20,21).
What are the key properties of 4-chloro-N-[(3-chlorophenyl)methylideneamino]phthalazin-1-amine?
4-chloro-N-[(3-chlorophenyl)methylideneamino]phthalazin-1-amine has a molecular weight of 317.18 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3-chlorophenyl)methylideneamino]phthalazin-1-amine is sourced from PubChem (CID 1386432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).