N-(4-chlorophenyl)-2-(diaminomethylidenehydrazinylidene)acetamide

C9H10ClN5O — CID 44531277

IUPACN-(4-chlorophenyl)-2-(diaminomethylidenehydrazinylidene)acetamide
SMILESNC(N)=NN=CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C9H10ClN5O/c10-6-1-3-7(4-2-6)14-8(16)5-13-15-9(11)12/h1-5H,(H,14,16)(H4,11,12,15)
InChIKeyBIHJZKVZHYGANN-UHFFFAOYSA-N
MW239.67 g/mol
LogP0.54
Rot. Bonds3

About N-(4-chlorophenyl)-2-(diaminomethylidenehydrazinylidene)acetamide

N-(4-chlorophenyl)-2-(diaminomethylidenehydrazinylidene)acetamide (PubChem CID 44531277) has the molecular formula C9H10ClN5O and a molecular weight of 239.67 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(diaminomethylidenehydrazinylidene)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(diaminomethylidenehydrazinylidene)acetamide
PubChem CID44531277
Molecular FormulaC9H10ClN5O
Molecular Weight239.67 g/mol
Exact Mass239.06
IUPAC NameN-(4-chlorophenyl)-2-(diaminomethylidenehydrazinylidene)acetamide
SMILESNC(N)=NN=CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C9H10ClN5O/c10-6-1-3-7(4-2-6)14-8(16)5-13-15-9(11)12/h1-5H,(H,14,16)(H4,11,12,15)
InChIKeyBIHJZKVZHYGANN-UHFFFAOYSA-N
XLogP0.54
TPSA105.86 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.67
LogP ≤ 50.54
H-Bond Donors ≤ 53
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

(2E)-2-(diaminomethylidenehydrazinylidene)-N-(3,4-dichlorophenyl)acetamide
CID 45480706
(2E)-2-(diaminomethylidenehydrazinylidene)-N-(4-ethylphenyl)acetamide
CID 45481384
(2E)-2-(diaminomethylidenehydrazinylidene)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 45480867
1-(4-chlorophenyl)-3-[4-[(Z)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]urea
CID 123405772
2-amino-N-(4-chlorophenyl)-2-hydroxyiminoacetamide
CID 6846906
1-[4-[(diaminomethylidenehydrazinylidene)methyl]phenyl]-3-phenylurea
CID 148941526
1-[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl]-3-methylurea
CID 89220020
4-chloro-N-[4-(prop-2-enoylamino)phenyl]benzamide
CID 166410938
(3Z)-3-amino-N-(4-chlorophenyl)-3-hydroxyiminopropanamide
CID 5371621
sodium;4-(4-chloroanilino)-4-oxobut-2-enoic acid;hydride
CID 173448641
4-[(4-chlorophenyl)carbamoylamino]benzamide
CID 730344
4-[4-(4-chlorophenyl)anilino]-4-oxobut-2-enoic acid
CID 745490

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(diaminomethylidenehydrazinylidene)acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(diaminomethylidenehydrazinylidene)acetamide (CID 44531277) is N-(4-chlorophenyl)-2-(diaminomethylidenehydrazinylidene)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(diaminomethylidenehydrazinylidene)acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(diaminomethylidenehydrazinylidene)acetamide is NC(N)=NN=CC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(diaminomethylidenehydrazinylidene)acetamide?
The InChIKey is BIHJZKVZHYGANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5O/c10-6-1-3-7(4-2-6)14-8(16)5-13-15-9(11)12/h1-5H,(H,14,16)(H4,11,12,15).
What are the key properties of N-(4-chlorophenyl)-2-(diaminomethylidenehydrazinylidene)acetamide?
N-(4-chlorophenyl)-2-(diaminomethylidenehydrazinylidene)acetamide has a molecular weight of 239.67 g/mol, XLogP of 0.54, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(diaminomethylidenehydrazinylidene)acetamide is sourced from PubChem (CID 44531277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).