2-(4-chloro-2-nitrophenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide

C20H18ClN3O4 — CID 2835475

IUPAC2-(4-chloro-2-nitrophenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide
SMILESCC(C=CC=Cc1ccccc1)=NNC(=O)COc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C20H18ClN3O4/c1-15(7-5-6-10-16-8-3-2-4-9-16)22-23-20(25)14-28-19-12-11-17(21)13-18(19)24(26)27/h2-13H,14H2,1H3,(H,23,25)
InChIKeyFUXWDKUISQCLPW-UHFFFAOYSA-N
MW399.83 g/mol
LogP4.39
Rot. Bonds8

About 2-(4-chloro-2-nitrophenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide

2-(4-chloro-2-nitrophenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide (PubChem CID 2835475) has the molecular formula C20H18ClN3O4 and a molecular weight of 399.83 g/mol. Its IUPAC name is 2-(4-chloro-2-nitrophenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-nitrophenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide
PubChem CID2835475
Molecular FormulaC20H18ClN3O4
Molecular Weight399.83 g/mol
Exact Mass399.10
IUPAC Name2-(4-chloro-2-nitrophenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide
SMILESCC(C=CC=Cc1ccccc1)=NNC(=O)COc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C20H18ClN3O4/c1-15(7-5-6-10-16-8-3-2-4-9-16)22-23-20(25)14-28-19-12-11-17(21)13-18(19)24(26)27/h2-13H,14H2,1H3,(H,23,25)
InChIKeyFUXWDKUISQCLPW-UHFFFAOYSA-N
XLogP4.39
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.83
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromo-4-chlorophenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide
CID 2847577
2-(2-nitrophenoxy)-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]acetamide
CID 171980830
2-(2-chlorophenoxy)-N-[(E)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide
CID 7325198
2-(2,4-dichlorophenoxy)-N-[(E)-[(Z)-4-phenylbut-3-en-2-ylidene]amino]acetamide
CID 92913426
2-(2-cyanophenoxy)-N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide
CID 6261617
2-(3,4-dimethylphenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide
CID 3097034
2-(4-chloro-2-methylphenoxy)-N-[(Z)-1-(2-nitrophenyl)ethylideneamino]acetamide
CID 9317103
2-(4-chloro-2-methylphenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide
CID 766399
2-(4-chloro-2-nitrophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 7991131
2-(4-methyl-2-nitrophenoxy)-N-(1-phenylethylideneamino)acetamide
CID 758143
2-(4-chloro-2-nitrophenoxy)acetic acid
CID 715650
N-butyl-2-(4-chloro-2-nitrophenoxy)acetamide
CID 7979841

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-nitrophenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide?
The IUPAC name of 2-(4-chloro-2-nitrophenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide (CID 2835475) is 2-(4-chloro-2-nitrophenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide.
What is the SMILES notation for 2-(4-chloro-2-nitrophenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide?
The canonical SMILES for 2-(4-chloro-2-nitrophenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide is CC(C=CC=Cc1ccccc1)=NNC(=O)COc1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 2-(4-chloro-2-nitrophenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide?
The InChIKey is FUXWDKUISQCLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O4/c1-15(7-5-6-10-16-8-3-2-4-9-16)22-23-20(25)14-28-19-12-11-17(21)13-18(19)24(26)27/h2-13H,14H2,1H3,(H,23,25).
What are the key properties of 2-(4-chloro-2-nitrophenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide?
2-(4-chloro-2-nitrophenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide has a molecular weight of 399.83 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-nitrophenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide is sourced from PubChem (CID 2835475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).