2-(4-tert-butylphenyl)-N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]acetamide

C19H20ClN3O3 — CID 126259033

IUPAC2-(4-tert-butylphenyl)-N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]acetamide
SMILESCC(C)(C)c1ccc(CC(=O)N/N=C\c2cc([N+](=O)[O-])ccc2Cl)cc1
InChIInChI=1S/C19H20ClN3O3/c1-19(2,3)15-6-4-13(5-7-15)10-18(24)22-21-12-14-11-16(23(25)26)8-9-17(14)20/h4-9,11-12H,10H2,1-3H3,(H,22,24)/b21-12-
InChIKeyFHBWRTJUGPCABV-MTJSOVHGSA-N
MW373.84 g/mol
LogP4.24
Rot. Bonds5

About 2-(4-tert-butylphenyl)-N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]acetamide

2-(4-tert-butylphenyl)-N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]acetamide (PubChem CID 126259033) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]acetamide
PubChem CID126259033
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC Name2-(4-tert-butylphenyl)-N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]acetamide
SMILESCC(C)(C)c1ccc(CC(=O)N/N=C\c2cc([N+](=O)[O-])ccc2Cl)cc1
InChIInChI=1S/C19H20ClN3O3/c1-19(2,3)15-6-4-13(5-7-15)10-18(24)22-21-12-14-11-16(23(25)26)8-9-17(14)20/h4-9,11-12H,10H2,1-3H3,(H,22,24)/b21-12-
InChIKeyFHBWRTJUGPCABV-MTJSOVHGSA-N
XLogP4.24
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chloro-5-nitrophenyl)methylideneamino]hexanamide
CID 4955557
1,3-bis[(E)-(2-chloro-5-nitrophenyl)methylideneamino]urea
CID 126842911
2-(4-ethylphenyl)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 137180707
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-4-methylbenzamide
CID 5417751
4-nitro-2-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenolate
CID 6955397
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-4-fluorobenzamide
CID 9016544
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 126030514
N-[(2-chloro-5-nitrophenyl)methylideneamino]-2-naphthalen-1-ylsulfanylacetamide
CID 3708913
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]methanamine
CID 94841683
2-(4-chlorophenyl)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
CID 6875923
N-[(3-chlorophenyl)methylideneamino]-2-(4-nitrophenyl)acetamide
CID 5048293
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-nitrophenyl)acetamide
CID 135627954

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-tert-butylphenyl)-N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]acetamide (CID 126259033) is 2-(4-tert-butylphenyl)-N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-tert-butylphenyl)-N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-tert-butylphenyl)-N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]acetamide is CC(C)(C)c1ccc(CC(=O)N/N=C\c2cc([N+](=O)[O-])ccc2Cl)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]acetamide?
The InChIKey is FHBWRTJUGPCABV-MTJSOVHGSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c1-19(2,3)15-6-4-13(5-7-15)10-18(24)22-21-12-14-11-16(23(25)26)8-9-17(14)20/h4-9,11-12H,10H2,1-3H3,(H,22,24)/b21-12-.
What are the key properties of 2-(4-tert-butylphenyl)-N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]acetamide?
2-(4-tert-butylphenyl)-N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]acetamide has a molecular weight of 373.84 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]acetamide is sourced from PubChem (CID 126259033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).