2-chloro-N-[(E)-2-methyl-3-phenylprop-1-enyl]acetamide

C12H14ClNO — CID 139716898

IUPAC2-chloro-N-[(E)-2-methyl-3-phenylprop-1-enyl]acetamide
SMILESC/C(=C\NC(=O)CCl)Cc1ccccc1
InChIInChI=1S/C12H14ClNO/c1-10(9-14-12(15)8-13)7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,14,15)/b10-9+
InChIKeyBFSBDRGEZMZARS-MDZDMXLPSA-N
MW223.70 g/mol
LogP2.49
Rot. Bonds4

About 2-chloro-N-[(E)-2-methyl-3-phenylprop-1-enyl]acetamide

2-chloro-N-[(E)-2-methyl-3-phenylprop-1-enyl]acetamide (PubChem CID 139716898) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is 2-chloro-N-[(E)-2-methyl-3-phenylprop-1-enyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(E)-2-methyl-3-phenylprop-1-enyl]acetamide
PubChem CID139716898
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name2-chloro-N-[(E)-2-methyl-3-phenylprop-1-enyl]acetamide
SMILESC/C(=C\NC(=O)CCl)Cc1ccccc1
InChIInChI=1S/C12H14ClNO/c1-10(9-14-12(15)8-13)7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,14,15)/b10-9+
InChIKeyBFSBDRGEZMZARS-MDZDMXLPSA-N
XLogP2.49
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 ≤ 52.49
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'-(2-chloroacetyl)-2-phenylacetohydrazide
CID 1133001
(3-chloro-2-methylprop-2-enyl)benzene
CID 71327936
3-methyl-4-phenylbut-2-enoic acid
CID 22414
(E)-3-methyl-4-phenylbut-2-enoic acid
CID 6369541
[(Z)-2-methylbut-2-enyl]benzene
CID 59870366
2-chloro-N-(2-methylprop-1-enyl)acetamide
CID 55287627
(E)-4-methyl-1,5-diphenylpent-3-en-2-one
CID 12877597
2-phenyl-N-[(Z)-prop-1-enyl]acetamide
CID 124527116
2-chloro-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 2784737
N-[methyl-bis[(2-phenylacetyl)amino]silyl]-2-phenylacetamide
CID 141205802
benzene;1-phenylpropan-2-one
CID 21430852
[2-[(2-chloroacetyl)amino]-2-methylpropyl] 2-phenylacetate
CID 91568309

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(E)-2-methyl-3-phenylprop-1-enyl]acetamide?
The IUPAC name of 2-chloro-N-[(E)-2-methyl-3-phenylprop-1-enyl]acetamide (CID 139716898) is 2-chloro-N-[(E)-2-methyl-3-phenylprop-1-enyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(E)-2-methyl-3-phenylprop-1-enyl]acetamide?
The canonical SMILES for 2-chloro-N-[(E)-2-methyl-3-phenylprop-1-enyl]acetamide is C/C(=C\NC(=O)CCl)Cc1ccccc1.
What is the InChIKey of 2-chloro-N-[(E)-2-methyl-3-phenylprop-1-enyl]acetamide?
The InChIKey is BFSBDRGEZMZARS-MDZDMXLPSA-N. The full InChI is InChI=1S/C12H14ClNO/c1-10(9-14-12(15)8-13)7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,14,15)/b10-9+.
What are the key properties of 2-chloro-N-[(E)-2-methyl-3-phenylprop-1-enyl]acetamide?
2-chloro-N-[(E)-2-methyl-3-phenylprop-1-enyl]acetamide has a molecular weight of 223.70 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(E)-2-methyl-3-phenylprop-1-enyl]acetamide is sourced from PubChem (CID 139716898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).