(Z)-3-chloro-4-(2-chloro-4-nitrophenoxy)but-2-en-1-amine

C10H10Cl2N2O3 — CID 42624284

IUPAC(Z)-3-chloro-4-(2-chloro-4-nitrophenoxy)but-2-en-1-amine
SMILESNC/C=C(\Cl)COc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C10H10Cl2N2O3/c11-7(3-4-13)6-17-10-2-1-8(14(15)16)5-9(10)12/h1-3,5H,4,6,13H2/b7-3-
InChIKeyZMDUCNSCHDPZPM-CLTKARDFSA-N
MW277.11 g/mol
LogP2.71
Rot. Bonds5

About (Z)-3-chloro-4-(2-chloro-4-nitrophenoxy)but-2-en-1-amine

(Z)-3-chloro-4-(2-chloro-4-nitrophenoxy)but-2-en-1-amine (PubChem CID 42624284) has the molecular formula C10H10Cl2N2O3 and a molecular weight of 277.11 g/mol. Its IUPAC name is (Z)-3-chloro-4-(2-chloro-4-nitrophenoxy)but-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-chloro-4-(2-chloro-4-nitrophenoxy)but-2-en-1-amine
PubChem CID42624284
Molecular FormulaC10H10Cl2N2O3
Molecular Weight277.11 g/mol
Exact Mass276.01
IUPAC Name(Z)-3-chloro-4-(2-chloro-4-nitrophenoxy)but-2-en-1-amine
SMILESNC/C=C(\Cl)COc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C10H10Cl2N2O3/c11-7(3-4-13)6-17-10-2-1-8(14(15)16)5-9(10)12/h1-3,5H,4,6,13H2/b7-3-
InChIKeyZMDUCNSCHDPZPM-CLTKARDFSA-N
XLogP2.71
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.11
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-(2-chloro-4-nitrophenoxy)but-2-en-1-amine
CID 66046792
[2-(2-chloroprop-2-enoxy)-5-nitrophenyl]methanamine
CID 60889770
2-(2-chloro-4-nitrophenoxy)-N-ethylacetamide
CID 18074297
2-(2-chloro-4-nitrophenoxy)-N-prop-2-enylacetamide
CID 3314376
2-chloro-1-[(4-chlorophenyl)methoxy]-4-nitrobenzene
CID 66921922
2-(2-chloro-4-nitrophenoxy)-1-(5-chlorothiophen-2-yl)ethanone
CID 2510894
2-(2-chloro-4-nitrophenoxy)-N-(propan-2-ylcarbamoyl)acetamide
CID 4216081
4-(2-chloro-4-nitrophenoxy)butan-2-one
CID 60666840
N-(1-adamantylmethyl)-2-(2-chloro-4-nitrophenoxy)acetamide
CID 7509178
2-(2-chloro-4-nitrophenoxy)-1-(oxolan-3-yl)ethanone
CID 104693422
(4-nitrophenyl)methyl 2-(2,4-dichlorophenoxy)acetate
CID 1310079
2-(2-chloro-4-nitrophenoxy)-N-cycloheptylacetamide
CID 4314611

Frequently Asked Questions

What is the IUPAC name of (Z)-3-chloro-4-(2-chloro-4-nitrophenoxy)but-2-en-1-amine?
The IUPAC name of (Z)-3-chloro-4-(2-chloro-4-nitrophenoxy)but-2-en-1-amine (CID 42624284) is (Z)-3-chloro-4-(2-chloro-4-nitrophenoxy)but-2-en-1-amine.
What is the SMILES notation for (Z)-3-chloro-4-(2-chloro-4-nitrophenoxy)but-2-en-1-amine?
The canonical SMILES for (Z)-3-chloro-4-(2-chloro-4-nitrophenoxy)but-2-en-1-amine is NC/C=C(\Cl)COc1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of (Z)-3-chloro-4-(2-chloro-4-nitrophenoxy)but-2-en-1-amine?
The InChIKey is ZMDUCNSCHDPZPM-CLTKARDFSA-N. The full InChI is InChI=1S/C10H10Cl2N2O3/c11-7(3-4-13)6-17-10-2-1-8(14(15)16)5-9(10)12/h1-3,5H,4,6,13H2/b7-3-.
What are the key properties of (Z)-3-chloro-4-(2-chloro-4-nitrophenoxy)but-2-en-1-amine?
(Z)-3-chloro-4-(2-chloro-4-nitrophenoxy)but-2-en-1-amine has a molecular weight of 277.11 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-chloro-4-(2-chloro-4-nitrophenoxy)but-2-en-1-amine is sourced from PubChem (CID 42624284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).