N-[2-[[[N'-[(2-acetamido-4-chlorophenyl)methylideneamino]carbamimidoyl]hydrazinylidene]methyl]-5-chlorophenyl]acetamide

C19H19Cl2N7O2 — CID 154403714

IUPACN-[2-[[[N'-[(2-acetamido-4-chlorophenyl)methylideneamino]carbamimidoyl]hydrazinylidene]methyl]-5-chlorophenyl]acetamide
SMILESCC(=O)Nc1cc(Cl)ccc1C=NN=C(N)NN=Cc1ccc(Cl)cc1NC(C)=O
InChIInChI=1S/C19H19Cl2N7O2/c1-11(29)25-17-7-15(20)5-3-13(17)9-23-27-19(22)28-24-10-14-4-6-16(21)8-18(14)26-12(2)30/h3-10H,1-2H3,(H,25,29)(H,26,30)(H3,22,27,28)
InChIKeyHLYWKWKMPXMFJC-UHFFFAOYSA-N
MW448.31 g/mol
LogP3.18
Rot. Bonds6

About N-[2-[[[N'-[(2-acetamido-4-chlorophenyl)methylideneamino]carbamimidoyl]hydrazinylidene]methyl]-5-chlorophenyl]acetamide

N-[2-[[[N'-[(2-acetamido-4-chlorophenyl)methylideneamino]carbamimidoyl]hydrazinylidene]methyl]-5-chlorophenyl]acetamide (PubChem CID 154403714) has the molecular formula C19H19Cl2N7O2 and a molecular weight of 448.31 g/mol. Its IUPAC name is N-[2-[[[N'-[(2-acetamido-4-chlorophenyl)methylideneamino]carbamimidoyl]hydrazinylidene]methyl]-5-chlorophenyl]acetamide.

Molecular Properties

Compound NameN-[2-[[[N'-[(2-acetamido-4-chlorophenyl)methylideneamino]carbamimidoyl]hydrazinylidene]methyl]-5-chlorophenyl]acetamide
PubChem CID154403714
Molecular FormulaC19H19Cl2N7O2
Molecular Weight448.31 g/mol
Exact Mass447.10
IUPAC NameN-[2-[[[N'-[(2-acetamido-4-chlorophenyl)methylideneamino]carbamimidoyl]hydrazinylidene]methyl]-5-chlorophenyl]acetamide
SMILESCC(=O)Nc1cc(Cl)ccc1C=NN=C(N)NN=Cc1ccc(Cl)cc1NC(C)=O
InChIInChI=1S/C19H19Cl2N7O2/c1-11(29)25-17-7-15(20)5-3-13(17)9-23-27-19(22)28-24-10-14-4-6-16(21)8-18(14)26-12(2)30/h3-10H,1-2H3,(H,25,29)(H,26,30)(H3,22,27,28)
InChIKeyHLYWKWKMPXMFJC-UHFFFAOYSA-N
XLogP3.18
TPSA133.33 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.31
LogP ≤ 53.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,2-bis[(E)-(4-chloro-2-fluorophenyl)methylideneamino]guanidine;hydrochloride
CID 172935906
1,2-bis[(E)-(2-amino-4-chlorophenyl)methylideneamino]guanidine
CID 86279330
1,2-bis[(2,4-dichlorophenyl)methylideneamino]guanidine;hydrochloride
CID 140813801
1,2-bis[(2-amino-4-chlorophenyl)methylideneamino]guanidine;hydrochloride
CID 131746622
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
CID 6162520
1-[(4-chlorophenyl)methylideneamino]-2-[(E)-(4-chlorophenyl)methylideneamino]guanidine
CID 137091125
[(E)-(4-chloro-2-methylphenyl)methylideneamino]urea
CID 103846300
1,2-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]guanidine
CID 136632894
1,2-bis[(E)-(4-chlorophenyl)methylideneamino]guanidine;hydrochloride
CID 172915818
1,2-bis[(2-fluorophenyl)methylideneamino]guanidine
CID 5114964
1,2-bis[(Z)-(4-chlorophenyl)methylideneamino]guanidine;hydrochloride
CID 68813768
1,2-bis[(2,3,4-trihydroxyphenyl)methylideneamino]guanidine
CID 137153596

Frequently Asked Questions

What is the IUPAC name of N-[2-[[[N'-[(2-acetamido-4-chlorophenyl)methylideneamino]carbamimidoyl]hydrazinylidene]methyl]-5-chlorophenyl]acetamide?
The IUPAC name of N-[2-[[[N'-[(2-acetamido-4-chlorophenyl)methylideneamino]carbamimidoyl]hydrazinylidene]methyl]-5-chlorophenyl]acetamide (CID 154403714) is N-[2-[[[N'-[(2-acetamido-4-chlorophenyl)methylideneamino]carbamimidoyl]hydrazinylidene]methyl]-5-chlorophenyl]acetamide.
What is the SMILES notation for N-[2-[[[N'-[(2-acetamido-4-chlorophenyl)methylideneamino]carbamimidoyl]hydrazinylidene]methyl]-5-chlorophenyl]acetamide?
The canonical SMILES for N-[2-[[[N'-[(2-acetamido-4-chlorophenyl)methylideneamino]carbamimidoyl]hydrazinylidene]methyl]-5-chlorophenyl]acetamide is CC(=O)Nc1cc(Cl)ccc1C=NN=C(N)NN=Cc1ccc(Cl)cc1NC(C)=O.
What is the InChIKey of N-[2-[[[N'-[(2-acetamido-4-chlorophenyl)methylideneamino]carbamimidoyl]hydrazinylidene]methyl]-5-chlorophenyl]acetamide?
The InChIKey is HLYWKWKMPXMFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N7O2/c1-11(29)25-17-7-15(20)5-3-13(17)9-23-27-19(22)28-24-10-14-4-6-16(21)8-18(14)26-12(2)30/h3-10H,1-2H3,(H,25,29)(H,26,30)(H3,22,27,28).
What are the key properties of N-[2-[[[N'-[(2-acetamido-4-chlorophenyl)methylideneamino]carbamimidoyl]hydrazinylidene]methyl]-5-chlorophenyl]acetamide?
N-[2-[[[N'-[(2-acetamido-4-chlorophenyl)methylideneamino]carbamimidoyl]hydrazinylidene]methyl]-5-chlorophenyl]acetamide has a molecular weight of 448.31 g/mol, XLogP of 3.18, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[[N'-[(2-acetamido-4-chlorophenyl)methylideneamino]carbamimidoyl]hydrazinylidene]methyl]-5-chlorophenyl]acetamide is sourced from PubChem (CID 154403714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).