N-[4-(4-chlorobut-1-enyl)phenyl]acetamide

C12H14ClNO — CID 170499596

IUPACN-[4-(4-chlorobut-1-enyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C=CCCCl)cc1
InChIInChI=1S/C12H14ClNO/c1-10(15)14-12-7-5-11(6-8-12)4-2-3-9-13/h2,4-8H,3,9H2,1H3,(H,14,15)
InChIKeyXQPLFHBNVHWYNP-UHFFFAOYSA-N
MW223.70 g/mol
LogP3.29
Rot. Bonds4

About N-[4-(4-chlorobut-1-enyl)phenyl]acetamide

N-[4-(4-chlorobut-1-enyl)phenyl]acetamide (PubChem CID 170499596) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is N-[4-(4-chlorobut-1-enyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-chlorobut-1-enyl)phenyl]acetamide
PubChem CID170499596
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC NameN-[4-(4-chlorobut-1-enyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C=CCCCl)cc1
InChIInChI=1S/C12H14ClNO/c1-10(15)14-12-7-5-11(6-8-12)4-2-3-9-13/h2,4-8H,3,9H2,1H3,(H,14,15)
InChIKeyXQPLFHBNVHWYNP-UHFFFAOYSA-N
XLogP3.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-chlorobut-1-enyl)phenyl]-3-oxobutanamide
CID 170500064
(E)-2-(4-acetamidophenyl)ethenesulfonyl chloride
CID 23469627
N-[4-(4-bromobut-1-enyl)phenyl]-3-chloropropanamide
CID 170498333
N-[4-(4-aminobut-1-enyl)phenyl]-3-chloropropanamide
CID 170487803
N-[4-(4-acetamidobut-1-enyl)phenyl]-3-oxobutanamide
CID 170489616
ethyl 4-(4-acetamidophenyl)but-3-enoate
CID 170796600
N-[4-[(1Z,4E)-5-(4-acetamidophenyl)-3-oxopenta-1,4-dienyl]phenyl]acetamide
CID 92840931
3-chloro-N-[4-(3-sulfanylprop-1-enyl)phenyl]propanamide
CID 169456060
N-[4-(3-bromoprop-1-enyl)phenyl]-3-chloropropanamide
CID 169476328
N-[4-[4-(chloromethyl)phenyl]but-3-enyl]acetamide
CID 170488172
(E)-3-(4-acetamidophenyl)-N-methylprop-2-enamide
CID 47142125
N-[4-[(1E,3Z)-5-hydroxy-3-methylpenta-1,3-dienyl]phenyl]acetamide
CID 143732890

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorobut-1-enyl)phenyl]acetamide?
The IUPAC name of N-[4-(4-chlorobut-1-enyl)phenyl]acetamide (CID 170499596) is N-[4-(4-chlorobut-1-enyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(4-chlorobut-1-enyl)phenyl]acetamide?
The canonical SMILES for N-[4-(4-chlorobut-1-enyl)phenyl]acetamide is CC(=O)Nc1ccc(C=CCCCl)cc1.
What is the InChIKey of N-[4-(4-chlorobut-1-enyl)phenyl]acetamide?
The InChIKey is XQPLFHBNVHWYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c1-10(15)14-12-7-5-11(6-8-12)4-2-3-9-13/h2,4-8H,3,9H2,1H3,(H,14,15).
What are the key properties of N-[4-(4-chlorobut-1-enyl)phenyl]acetamide?
N-[4-(4-chlorobut-1-enyl)phenyl]acetamide has a molecular weight of 223.70 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorobut-1-enyl)phenyl]acetamide is sourced from PubChem (CID 170499596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).