N-[2-[(3-chlorophenyl)methylamino]ethyl]acetamide

C11H15ClN2O — CID 28710214

IUPACN-[2-[(3-chlorophenyl)methylamino]ethyl]acetamide
SMILESCC(=O)NCCNCc1cccc(Cl)c1
InChIInChI=1S/C11H15ClN2O/c1-9(15)14-6-5-13-8-10-3-2-4-11(12)7-10/h2-4,7,13H,5-6,8H2,1H3,(H,14,15)
InChIKeyIFGIKXVPKLYIKA-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.57
Rot. Bonds5

About N-[2-[(3-chlorophenyl)methylamino]ethyl]acetamide

N-[2-[(3-chlorophenyl)methylamino]ethyl]acetamide (PubChem CID 28710214) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is N-[2-[(3-chlorophenyl)methylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(3-chlorophenyl)methylamino]ethyl]acetamide
PubChem CID28710214
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC NameN-[2-[(3-chlorophenyl)methylamino]ethyl]acetamide
SMILESCC(=O)NCCNCc1cccc(Cl)c1
InChIInChI=1S/C11H15ClN2O/c1-9(15)14-6-5-13-8-10-3-2-4-11(12)7-10/h2-4,7,13H,5-6,8H2,1H3,(H,14,15)
InChIKeyIFGIKXVPKLYIKA-UHFFFAOYSA-N
XLogP1.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]acetamide
CID 28684436
N-[2-[(2,4-dichlorophenyl)methylamino]ethyl]acetamide
CID 28684550
N-[2-[(3-chlorophenyl)carbamothioylamino]ethyl]acetamide
CID 3872004
1-[2-[(3-chlorophenyl)methylamino]ethylamino]propan-2-ol
CID 4719833
N-[2-[(3-propoxyphenyl)methylamino]ethyl]acetamide
CID 54893746
N-[4-[[2-(3-chlorophenyl)ethylamino]methyl]phenyl]acetamide;hydrochloride
CID 155821876
N-[2-[[4-(2-phenylethyl)phenyl]methylamino]ethyl]acetamide
CID 11437928
2-[(3-chlorophenyl)methylamino]ethanesulfonic acid
CID 18439273
N-[(3-chlorophenyl)methyl]-2-fluoroethanamine
CID 80694369
2-(3-chlorophenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119509114
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125
N-[2-(3-chlorophenyl)ethyl]-3-[(3-methylphenyl)methylamino]propanamide
CID 109019632

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chlorophenyl)methylamino]ethyl]acetamide?
The IUPAC name of N-[2-[(3-chlorophenyl)methylamino]ethyl]acetamide (CID 28710214) is N-[2-[(3-chlorophenyl)methylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(3-chlorophenyl)methylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[(3-chlorophenyl)methylamino]ethyl]acetamide is CC(=O)NCCNCc1cccc(Cl)c1.
What is the InChIKey of N-[2-[(3-chlorophenyl)methylamino]ethyl]acetamide?
The InChIKey is IFGIKXVPKLYIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-9(15)14-6-5-13-8-10-3-2-4-11(12)7-10/h2-4,7,13H,5-6,8H2,1H3,(H,14,15).
What are the key properties of N-[2-[(3-chlorophenyl)methylamino]ethyl]acetamide?
N-[2-[(3-chlorophenyl)methylamino]ethyl]acetamide has a molecular weight of 226.71 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chlorophenyl)methylamino]ethyl]acetamide is sourced from PubChem (CID 28710214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).