N-[4-(2-chloroacetyl)phenyl]propanamide

C11H12ClNO2 — CID 3429836

IUPACN-[4-(2-chloroacetyl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(=O)CCl)cc1
InChIInChI=1S/C11H12ClNO2/c1-2-11(15)13-9-5-3-8(4-6-9)10(14)7-12/h3-6H,2,7H2,1H3,(H,13,15)
InChIKeyHZHWAGTXPKRYLN-UHFFFAOYSA-N
MW225.67 g/mol
LogP2.46
Rot. Bonds4

About N-[4-(2-chloroacetyl)phenyl]propanamide

N-[4-(2-chloroacetyl)phenyl]propanamide (PubChem CID 3429836) has the molecular formula C11H12ClNO2 and a molecular weight of 225.67 g/mol. Its IUPAC name is N-[4-(2-chloroacetyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-(2-chloroacetyl)phenyl]propanamide
PubChem CID3429836
Molecular FormulaC11H12ClNO2
Molecular Weight225.67 g/mol
Exact Mass225.06
IUPAC NameN-[4-(2-chloroacetyl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(=O)CCl)cc1
InChIInChI=1S/C11H12ClNO2/c1-2-11(15)13-9-5-3-8(4-6-9)10(14)7-12/h3-6H,2,7H2,1H3,(H,13,15)
InChIKeyHZHWAGTXPKRYLN-UHFFFAOYSA-N
XLogP2.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.67
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

S-methyl 4-(propanoylamino)benzenecarbothioate
CID 142069454
4-(propanoylamino)-N-[2-(propanoylamino)ethyl]benzamide
CID 121062260
(4-propanoylphenyl)carbamic acid
CID 122623771
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-methylpropanoate
CID 7782413
N-[4-(2-azidoacetyl)phenyl]propanamide
CID 98883079
ethane;N-[4-(2-methylpropanoyl)phenyl]propanamide
CID 172566048
3-chloro-2,2-dimethyl-N-[4-(propanoylamino)phenyl]propanamide
CID 63680174
tert-butyl N-[4-(2-chloroacetyl)phenyl]carbamate
CID 74788467
N-[4-[1-[(2-chloroacetyl)amino]ethyl]phenyl]propanamide
CID 154832906
N-[4-[(2-aminoacetyl)amino]phenyl]propanamide
CID 43708679
N-[4-(2-aminopropanoyl)phenyl]propanamide
CID 82341614
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 4-methylbenzoate
CID 7971864

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chloroacetyl)phenyl]propanamide?
The IUPAC name of N-[4-(2-chloroacetyl)phenyl]propanamide (CID 3429836) is N-[4-(2-chloroacetyl)phenyl]propanamide.
What is the SMILES notation for N-[4-(2-chloroacetyl)phenyl]propanamide?
The canonical SMILES for N-[4-(2-chloroacetyl)phenyl]propanamide is CCC(=O)Nc1ccc(C(=O)CCl)cc1.
What is the InChIKey of N-[4-(2-chloroacetyl)phenyl]propanamide?
The InChIKey is HZHWAGTXPKRYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO2/c1-2-11(15)13-9-5-3-8(4-6-9)10(14)7-12/h3-6H,2,7H2,1H3,(H,13,15).
What are the key properties of N-[4-(2-chloroacetyl)phenyl]propanamide?
N-[4-(2-chloroacetyl)phenyl]propanamide has a molecular weight of 225.67 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chloroacetyl)phenyl]propanamide is sourced from PubChem (CID 3429836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).