(3E)-3-(carbamoylhydrazinylidene)-N-(4-chlorophenyl)butanamide

C11H13ClN4O2 — CID 6091907

IUPAC(3E)-3-(carbamoylhydrazinylidene)-N-(4-chlorophenyl)butanamide
SMILESC/C(CC(=O)Nc1ccc(Cl)cc1)=N\NC(N)=O
InChIInChI=1S/C11H13ClN4O2/c1-7(15-16-11(13)18)6-10(17)14-9-4-2-8(12)3-5-9/h2-5H,6H2,1H3,(H,14,17)(H3,13,16,18)/b15-7+
InChIKeyBCFAKGUVBJLSFE-VIZOYTHASA-N
MW268.70 g/mol
LogP1.71
Rot. Bonds4

About (3E)-3-(carbamoylhydrazinylidene)-N-(4-chlorophenyl)butanamide

(3E)-3-(carbamoylhydrazinylidene)-N-(4-chlorophenyl)butanamide (PubChem CID 6091907) has the molecular formula C11H13ClN4O2 and a molecular weight of 268.70 g/mol. Its IUPAC name is (3E)-3-(carbamoylhydrazinylidene)-N-(4-chlorophenyl)butanamide.

Molecular Properties

Compound Name(3E)-3-(carbamoylhydrazinylidene)-N-(4-chlorophenyl)butanamide
PubChem CID6091907
Molecular FormulaC11H13ClN4O2
Molecular Weight268.70 g/mol
Exact Mass268.07
IUPAC Name(3E)-3-(carbamoylhydrazinylidene)-N-(4-chlorophenyl)butanamide
SMILESC/C(CC(=O)Nc1ccc(Cl)cc1)=N\NC(N)=O
InChIInChI=1S/C11H13ClN4O2/c1-7(15-16-11(13)18)6-10(17)14-9-4-2-8(12)3-5-9/h2-5H,6H2,1H3,(H,14,17)(H3,13,16,18)/b15-7+
InChIKeyBCFAKGUVBJLSFE-VIZOYTHASA-N
XLogP1.71
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

(3E)-3-(carbamoylhydrazinylidene)-N-phenylbutanamide
CID 15855253
4-[[(3Z)-3-(carbamoylhydrazinylidene)butanoyl]amino]-N-hydroxybenzeneamine oxide
CID 20835263
N-[[4-(4-bromoanilino)-4-oxobutan-2-ylidene]amino]-4-chlorobenzamide
CID 3481558
(3Z)-3-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-N-phenylbutanamide
CID 6387241
(3Z)-3-amino-N-(4-chlorophenyl)-3-hydroxyiminopropanamide
CID 5371621
(3Z)-3-(carbamothioylhydrazinylidene)-N-phenylbutanamide
CID 5465204
4-[[(3E)-3-[(4-acetamidobenzoyl)hydrazinylidene]butanoyl]amino]benzamide
CID 6186119
[(E)-1-[4-[(4-chlorophenyl)carbamothioylamino]phenyl]ethylideneamino]urea
CID 177464678
(3Z)-3-[(4-tert-butylphenyl)sulfonylhydrazinylidene]-N-(4-chlorophenyl)butanamide
CID 7241806
4-acetamido-N-[[4-(4-acetamidoanilino)-4-oxobutan-2-ylidene]amino]benzamide
CID 5029798
N,N'-bis(4-chlorophenyl)-3-oxopentanediamide
CID 12654887
3-(4-bromophenyl)imino-N-(4-chlorophenyl)butanamide
CID 4854669

Frequently Asked Questions

What is the IUPAC name of (3E)-3-(carbamoylhydrazinylidene)-N-(4-chlorophenyl)butanamide?
The IUPAC name of (3E)-3-(carbamoylhydrazinylidene)-N-(4-chlorophenyl)butanamide (CID 6091907) is (3E)-3-(carbamoylhydrazinylidene)-N-(4-chlorophenyl)butanamide.
What is the SMILES notation for (3E)-3-(carbamoylhydrazinylidene)-N-(4-chlorophenyl)butanamide?
The canonical SMILES for (3E)-3-(carbamoylhydrazinylidene)-N-(4-chlorophenyl)butanamide is C/C(CC(=O)Nc1ccc(Cl)cc1)=N\NC(N)=O.
What is the InChIKey of (3E)-3-(carbamoylhydrazinylidene)-N-(4-chlorophenyl)butanamide?
The InChIKey is BCFAKGUVBJLSFE-VIZOYTHASA-N. The full InChI is InChI=1S/C11H13ClN4O2/c1-7(15-16-11(13)18)6-10(17)14-9-4-2-8(12)3-5-9/h2-5H,6H2,1H3,(H,14,17)(H3,13,16,18)/b15-7+.
What are the key properties of (3E)-3-(carbamoylhydrazinylidene)-N-(4-chlorophenyl)butanamide?
(3E)-3-(carbamoylhydrazinylidene)-N-(4-chlorophenyl)butanamide has a molecular weight of 268.70 g/mol, XLogP of 1.71, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(carbamoylhydrazinylidene)-N-(4-chlorophenyl)butanamide is sourced from PubChem (CID 6091907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).