N-[3-(4-amino-2,5-dichlorophenyl)prop-2-enyl]acetamide

C11H12Cl2N2O — CID 169465500

IUPACN-[3-(4-amino-2,5-dichlorophenyl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1cc(Cl)c(N)cc1Cl
InChIInChI=1S/C11H12Cl2N2O/c1-7(16)15-4-2-3-8-5-10(13)11(14)6-9(8)12/h2-3,5-6H,4,14H2,1H3,(H,15,16)
InChIKeyMSBBFHDNMFVRMK-UHFFFAOYSA-N
MW259.14 g/mol
LogP2.72
Rot. Bonds3

About N-[3-(4-amino-2,5-dichlorophenyl)prop-2-enyl]acetamide

N-[3-(4-amino-2,5-dichlorophenyl)prop-2-enyl]acetamide (PubChem CID 169465500) has the molecular formula C11H12Cl2N2O and a molecular weight of 259.14 g/mol. Its IUPAC name is N-[3-(4-amino-2,5-dichlorophenyl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-amino-2,5-dichlorophenyl)prop-2-enyl]acetamide
PubChem CID169465500
Molecular FormulaC11H12Cl2N2O
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC NameN-[3-(4-amino-2,5-dichlorophenyl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1cc(Cl)c(N)cc1Cl
InChIInChI=1S/C11H12Cl2N2O/c1-7(16)15-4-2-3-8-5-10(13)11(14)6-9(8)12/h2-3,5-6H,4,14H2,1H3,(H,15,16)
InChIKeyMSBBFHDNMFVRMK-UHFFFAOYSA-N
XLogP2.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-chloro-5-fluoro-4-methylphenyl)prop-2-enyl]acetamide
CID 169465270
N-[3-(2-chloro-4-hydroxyphenyl)prop-2-enyl]acetamide
CID 169465018
N-[3-(3-amino-6-chloropyridazin-4-yl)prop-2-enyl]acetamide
CID 169465223
N-[3-(2-amino-4-chloropyrimidin-5-yl)prop-2-enyl]acetamide
CID 169465228
3-(3-acetamidoprop-1-enyl)-2-amino-5-chlorobenzoic acid
CID 169466086
N-[3-(2-amino-5-chloro-3-pyridinyl)prop-2-enyl]acetamide
CID 169465064
N-[3-(2,3-dichlorophenyl)prop-2-enyl]acetamide
CID 169464992
N-[3-(2-amino-4-bromophenyl)prop-2-enyl]acetamide
CID 169466523
N-[3-(5-chloro-2-fluorophenyl)prop-2-enyl]acetamide
CID 169464994
N-[3-(4-amino-3,5-difluorophenyl)prop-2-enyl]acetamide
CID 169465509
N-[3-(2-bromo-4-chlorophenyl)prop-2-enyl]acetamide
CID 169466504
N-[3-[2-amino-5-(trifluoromethyl)phenyl]prop-2-enyl]acetamide
CID 169466076

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-amino-2,5-dichlorophenyl)prop-2-enyl]acetamide?
The IUPAC name of N-[3-(4-amino-2,5-dichlorophenyl)prop-2-enyl]acetamide (CID 169465500) is N-[3-(4-amino-2,5-dichlorophenyl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-(4-amino-2,5-dichlorophenyl)prop-2-enyl]acetamide?
The canonical SMILES for N-[3-(4-amino-2,5-dichlorophenyl)prop-2-enyl]acetamide is CC(=O)NCC=Cc1cc(Cl)c(N)cc1Cl.
What is the InChIKey of N-[3-(4-amino-2,5-dichlorophenyl)prop-2-enyl]acetamide?
The InChIKey is MSBBFHDNMFVRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O/c1-7(16)15-4-2-3-8-5-10(13)11(14)6-9(8)12/h2-3,5-6H,4,14H2,1H3,(H,15,16).
What are the key properties of N-[3-(4-amino-2,5-dichlorophenyl)prop-2-enyl]acetamide?
N-[3-(4-amino-2,5-dichlorophenyl)prop-2-enyl]acetamide has a molecular weight of 259.14 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-amino-2,5-dichlorophenyl)prop-2-enyl]acetamide is sourced from PubChem (CID 169465500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).