N-[4-(2-aminoacetyl)phenyl]-2-chloropropanamide

C11H13ClN2O2 — CID 170860591

IUPACN-[4-(2-aminoacetyl)phenyl]-2-chloropropanamide
SMILESCC(Cl)C(=O)Nc1ccc(C(=O)CN)cc1
InChIInChI=1S/C11H13ClN2O2/c1-7(12)11(16)14-9-4-2-8(3-5-9)10(15)6-13/h2-5,7H,6,13H2,1H3,(H,14,16)
InChIKeyFKCZQAYRPVFIHT-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.39
Rot. Bonds4

About N-[4-(2-aminoacetyl)phenyl]-2-chloropropanamide

N-[4-(2-aminoacetyl)phenyl]-2-chloropropanamide (PubChem CID 170860591) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is N-[4-(2-aminoacetyl)phenyl]-2-chloropropanamide.

Molecular Properties

Compound NameN-[4-(2-aminoacetyl)phenyl]-2-chloropropanamide
PubChem CID170860591
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC NameN-[4-(2-aminoacetyl)phenyl]-2-chloropropanamide
SMILESCC(Cl)C(=O)Nc1ccc(C(=O)CN)cc1
InChIInChI=1S/C11H13ClN2O2/c1-7(12)11(16)14-9-4-2-8(3-5-9)10(15)6-13/h2-5,7H,6,13H2,1H3,(H,14,16)
InChIKeyFKCZQAYRPVFIHT-UHFFFAOYSA-N
XLogP1.39
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-aminoacetyl)phenyl]-2-chloropropanamide
CID 170860874
4-[[(2S)-2-chloropropanoyl]amino]benzamide
CID 2118148
ethyl 4-(2-chloropropanoylamino)benzoate
CID 42599434
N-[4-(2-chloropropanoylamino)phenyl]-2-methylpropanamide
CID 43346560
2-chloro-N-(4-fluorophenyl)propanamide
CID 532266
N-[4-(2-aminoacetyl)phenyl]-2-propan-2-ylsulfanylacetamide
CID 170860689
N-[4-(4-aminophenyl)phenyl]-2-chloropropanamide
CID 18877630
methyl N-[4-(2-chloropropanoylamino)phenyl]carbamate
CID 43701229
N-[4-(2-aminoacetyl)phenyl]butanamide
CID 170860322
N-[4-[(2R)-2-chloropropanoyl]phenyl]-2-methylpropanamide
CID 2468229
2-amino-1-(4-hydrazinylphenyl)ethanone
CID 174286763
2-chloro-N-[4-(ethylsulfonylamino)phenyl]propanamide
CID 54867179

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoacetyl)phenyl]-2-chloropropanamide?
The IUPAC name of N-[4-(2-aminoacetyl)phenyl]-2-chloropropanamide (CID 170860591) is N-[4-(2-aminoacetyl)phenyl]-2-chloropropanamide.
What is the SMILES notation for N-[4-(2-aminoacetyl)phenyl]-2-chloropropanamide?
The canonical SMILES for N-[4-(2-aminoacetyl)phenyl]-2-chloropropanamide is CC(Cl)C(=O)Nc1ccc(C(=O)CN)cc1.
What is the InChIKey of N-[4-(2-aminoacetyl)phenyl]-2-chloropropanamide?
The InChIKey is FKCZQAYRPVFIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c1-7(12)11(16)14-9-4-2-8(3-5-9)10(15)6-13/h2-5,7H,6,13H2,1H3,(H,14,16).
What are the key properties of N-[4-(2-aminoacetyl)phenyl]-2-chloropropanamide?
N-[4-(2-aminoacetyl)phenyl]-2-chloropropanamide has a molecular weight of 240.69 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminoacetyl)phenyl]-2-chloropropanamide is sourced from PubChem (CID 170860591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).