N-[bis[[(4-chlorophenyl)methylideneamino]-methylamino]methylidene]acetamide

C19H19Cl2N5O — CID 54507813

IUPACN-[bis[[(4-chlorophenyl)methylideneamino]-methylamino]methylidene]acetamide
SMILESCC(=O)N=C(N(C)N=Cc1ccc(Cl)cc1)N(C)N=Cc1ccc(Cl)cc1
InChIInChI=1S/C19H19Cl2N5O/c1-14(27)24-19(25(2)22-12-15-4-8-17(20)9-5-15)26(3)23-13-16-6-10-18(21)11-7-16/h4-13H,1-3H3
InChIKeyYGYRDZIFEGLHDX-UHFFFAOYSA-N
MW404.30 g/mol
LogP4.13
Rot. Bonds4

About N-[bis[[(4-chlorophenyl)methylideneamino]-methylamino]methylidene]acetamide

N-[bis[[(4-chlorophenyl)methylideneamino]-methylamino]methylidene]acetamide (PubChem CID 54507813) has the molecular formula C19H19Cl2N5O and a molecular weight of 404.30 g/mol. Its IUPAC name is N-[bis[[(4-chlorophenyl)methylideneamino]-methylamino]methylidene]acetamide.

Molecular Properties

Compound NameN-[bis[[(4-chlorophenyl)methylideneamino]-methylamino]methylidene]acetamide
PubChem CID54507813
Molecular FormulaC19H19Cl2N5O
Molecular Weight404.30 g/mol
Exact Mass403.10
IUPAC NameN-[bis[[(4-chlorophenyl)methylideneamino]-methylamino]methylidene]acetamide
SMILESCC(=O)N=C(N(C)N=Cc1ccc(Cl)cc1)N(C)N=Cc1ccc(Cl)cc1
InChIInChI=1S/C19H19Cl2N5O/c1-14(27)24-19(25(2)22-12-15-4-8-17(20)9-5-15)26(3)23-13-16-6-10-18(21)11-7-16/h4-13H,1-3H3
InChIKeyYGYRDZIFEGLHDX-UHFFFAOYSA-N
XLogP4.13
TPSA60.63 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.30
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[(E)-(4-chlorophenyl)methylideneamino]-1-methyl-3-phenylurea
CID 10108132
CID 10012124
CID 10012124
N-carbamimidoyl-N-[(E)-(4-chlorophenyl)methylideneamino]acetamide
CID 146217343
1-[(Z)-(4-chlorophenyl)methylideneamino]-1-methyl-3-phenylthiourea
CID 101014473
1-[(E)-(4-hydroxyphenyl)methylideneamino]-1-methylurea
CID 137257545
[(4-chlorophenyl)methylideneamino] acetate
CID 57215525
methyl N-[(Z)-(4-chlorophenyl)methylideneamino]carbamate
CID 5417418
4-chloro-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide
CID 5340804
N-tert-butyl-3,5-dichloro-N-[(E)-(4-chlorophenyl)methylideneamino]benzamide
CID 134104323
[(Z)-(4-chlorophenyl)methylideneamino]urea
CID 6079769
2-[(E)-(4-chlorophenyl)methylideneamino]-1,1-dimethylguanidine
CID 13451350
N-[(4-acetamidophenyl)methylideneamino]-4-chlorobenzamide
CID 2691882

Frequently Asked Questions

What is the IUPAC name of N-[bis[[(4-chlorophenyl)methylideneamino]-methylamino]methylidene]acetamide?
The IUPAC name of N-[bis[[(4-chlorophenyl)methylideneamino]-methylamino]methylidene]acetamide (CID 54507813) is N-[bis[[(4-chlorophenyl)methylideneamino]-methylamino]methylidene]acetamide.
What is the SMILES notation for N-[bis[[(4-chlorophenyl)methylideneamino]-methylamino]methylidene]acetamide?
The canonical SMILES for N-[bis[[(4-chlorophenyl)methylideneamino]-methylamino]methylidene]acetamide is CC(=O)N=C(N(C)N=Cc1ccc(Cl)cc1)N(C)N=Cc1ccc(Cl)cc1.
What is the InChIKey of N-[bis[[(4-chlorophenyl)methylideneamino]-methylamino]methylidene]acetamide?
The InChIKey is YGYRDZIFEGLHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N5O/c1-14(27)24-19(25(2)22-12-15-4-8-17(20)9-5-15)26(3)23-13-16-6-10-18(21)11-7-16/h4-13H,1-3H3.
What are the key properties of N-[bis[[(4-chlorophenyl)methylideneamino]-methylamino]methylidene]acetamide?
N-[bis[[(4-chlorophenyl)methylideneamino]-methylamino]methylidene]acetamide has a molecular weight of 404.30 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis[[(4-chlorophenyl)methylideneamino]-methylamino]methylidene]acetamide is sourced from PubChem (CID 54507813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).