N-[2-(2-chloropropan-2-yl)phenyl]prop-2-enamide

C12H14ClNO — CID 141155435

IUPACN-[2-(2-chloropropan-2-yl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccccc1C(C)(C)Cl
InChIInChI=1S/C12H14ClNO/c1-4-11(15)14-10-8-6-5-7-9(10)12(2,3)13/h4-8H,1H2,2-3H3,(H,14,15)
InChIKeyOWMMBHMRXYJGSM-UHFFFAOYSA-N
MW223.70 g/mol
LogP3.29
Rot. Bonds3

About N-[2-(2-chloropropan-2-yl)phenyl]prop-2-enamide

N-[2-(2-chloropropan-2-yl)phenyl]prop-2-enamide (PubChem CID 141155435) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is N-[2-(2-chloropropan-2-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(2-chloropropan-2-yl)phenyl]prop-2-enamide
PubChem CID141155435
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC NameN-[2-(2-chloropropan-2-yl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccccc1C(C)(C)Cl
InChIInChI=1S/C12H14ClNO/c1-4-11(15)14-10-8-6-5-7-9(10)12(2,3)13/h4-8H,1H2,2-3H3,(H,14,15)
InChIKeyOWMMBHMRXYJGSM-UHFFFAOYSA-N
XLogP3.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethynylphenyl)prop-2-enamide
CID 130014031
N-(2-propan-2-ylphenyl)prop-2-enamide
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N-[2-[[2-(prop-2-enoylamino)phenyl]disulfanyl]phenyl]prop-2-enamide
CID 91082426
N-(2-aminophenyl)prop-2-enamide;ethane;molecular hydrogen
CID 145298068
N-(2-butan-2-ylphenyl)prop-2-enamide
CID 60778016
N-[2-(difluoromethylsulfanyl)phenyl]prop-2-enamide
CID 43616310
2-chloro-N-[2-(1,1-difluoroethyl)phenyl]acetamide
CID 155580453
bis[2-(prop-2-enoylamino)phenyl] hydrogen phosphate
CID 68547642
N-(5-tert-butyl-2-methylphenyl)prop-2-enamide
CID 139406926
2-chloro-6-(prop-2-enoylamino)benzoic acid
CID 63723930
N-(5-hydroxynaphthalen-1-yl)prop-2-enamide
CID 43700254
N-[2-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enamide
CID 58715951

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloropropan-2-yl)phenyl]prop-2-enamide?
The IUPAC name of N-[2-(2-chloropropan-2-yl)phenyl]prop-2-enamide (CID 141155435) is N-[2-(2-chloropropan-2-yl)phenyl]prop-2-enamide.
What is the SMILES notation for N-[2-(2-chloropropan-2-yl)phenyl]prop-2-enamide?
The canonical SMILES for N-[2-(2-chloropropan-2-yl)phenyl]prop-2-enamide is C=CC(=O)Nc1ccccc1C(C)(C)Cl.
What is the InChIKey of N-[2-(2-chloropropan-2-yl)phenyl]prop-2-enamide?
The InChIKey is OWMMBHMRXYJGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c1-4-11(15)14-10-8-6-5-7-9(10)12(2,3)13/h4-8H,1H2,2-3H3,(H,14,15).
What are the key properties of N-[2-(2-chloropropan-2-yl)phenyl]prop-2-enamide?
N-[2-(2-chloropropan-2-yl)phenyl]prop-2-enamide has a molecular weight of 223.70 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloropropan-2-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 141155435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).