2-(4-chloro-2-nitrophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide

C14H17ClN2O4 — CID 78764848

IUPAC2-(4-chloro-2-nitrophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)COc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C14H17ClN2O4/c1-4-16(8-10(2)3)14(18)9-21-13-6-5-11(15)7-12(13)17(19)20/h5-7H,2,4,8-9H2,1,3H3
InChIKeyRVPOQSUYFCUHPI-UHFFFAOYSA-N
MW312.75 g/mol
LogP3.05
Rot. Bonds7

About 2-(4-chloro-2-nitrophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide

2-(4-chloro-2-nitrophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide (PubChem CID 78764848) has the molecular formula C14H17ClN2O4 and a molecular weight of 312.75 g/mol. Its IUPAC name is 2-(4-chloro-2-nitrophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-nitrophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
PubChem CID78764848
Molecular FormulaC14H17ClN2O4
Molecular Weight312.75 g/mol
Exact Mass312.09
IUPAC Name2-(4-chloro-2-nitrophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)COc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C14H17ClN2O4/c1-4-16(8-10(2)3)14(18)9-21-13-6-5-11(15)7-12(13)17(19)20/h5-7H,2,4,8-9H2,1,3H3
InChIKeyRVPOQSUYFCUHPI-UHFFFAOYSA-N
XLogP3.05
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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

4-chloro-1-(2-methylprop-2-enoxy)-2-nitrobenzene
CID 46850457
2-(4-chloro-2-nitrophenoxy)-N,N-bis(2-cyanoethyl)acetamide
CID 38930573
2-(4-chloro-2-nitrophenoxy)acetic acid
CID 715650
2-[4-(aminomethyl)-2-nitrophenoxy]-N,N-diethylacetamide
CID 43137713
N,N-diethyl-2-(4-methylsulfonyl-2-nitrophenoxy)acetamide
CID 21209849
2-[[2-(4-chloro-2-nitrophenoxy)acetyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 27267674
3-chloro-4-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethoxy]benzoic acid
CID 60651738
2-(2-chlorophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 78762100
N-butyl-2-(4-chloro-2-nitrophenoxy)acetamide
CID 7979841
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 9337841
2-(4-chloro-2-nitrophenoxy)-N-(4-chlorophenyl)acetamide
CID 7991150
2-(2-acetylphenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 112781553

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-nitrophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The IUPAC name of 2-(4-chloro-2-nitrophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide (CID 78764848) is 2-(4-chloro-2-nitrophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-nitrophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The canonical SMILES for 2-(4-chloro-2-nitrophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide is C=C(C)CN(CC)C(=O)COc1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 2-(4-chloro-2-nitrophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The InChIKey is RVPOQSUYFCUHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O4/c1-4-16(8-10(2)3)14(18)9-21-13-6-5-11(15)7-12(13)17(19)20/h5-7H,2,4,8-9H2,1,3H3.
What are the key properties of 2-(4-chloro-2-nitrophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
2-(4-chloro-2-nitrophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide has a molecular weight of 312.75 g/mol, XLogP of 3.05, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-nitrophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide is sourced from PubChem (CID 78764848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).