N-[(3-chlorophenyl)methyl]-2-(ethylamino)-N-methylacetamide

C12H17ClN2O — CID 60685725

IUPACN-[(3-chlorophenyl)methyl]-2-(ethylamino)-N-methylacetamide
SMILESCCNCC(=O)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C12H17ClN2O/c1-3-14-8-12(16)15(2)9-10-5-4-6-11(13)7-10/h4-7,14H,3,8-9H2,1-2H3
InChIKeyCCLPZASYFUTGAJ-UHFFFAOYSA-N
MW240.73 g/mol
LogP1.91
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-2-(ethylamino)-N-methylacetamide

N-[(3-chlorophenyl)methyl]-2-(ethylamino)-N-methylacetamide (PubChem CID 60685725) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-(ethylamino)-N-methylacetamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-(ethylamino)-N-methylacetamide
PubChem CID60685725
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC NameN-[(3-chlorophenyl)methyl]-2-(ethylamino)-N-methylacetamide
SMILESCCNCC(=O)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C12H17ClN2O/c1-3-14-8-12(16)15(2)9-10-5-4-6-11(13)7-10/h4-7,14H,3,8-9H2,1-2H3
InChIKeyCCLPZASYFUTGAJ-UHFFFAOYSA-N
XLogP1.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chlorophenyl)methyl]-N-methyl-2-(propylamino)acetamide
CID 60687586
N-[(3-chloro-4-fluorophenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 115157979
N-[(3-chlorophenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide
CID 62853098
N-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide
CID 18112585
4-chloro-N-[(3-chlorophenyl)methyl]-N-methylbutanamide
CID 63309428
N-benzyl-2-[(3-chlorophenyl)methylsulfonylamino]-N-methylacetamide
CID 22300743
1-[(3-chlorophenyl)methyl]-3,3-diethyl-1-methylurea
CID 115618548
[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium
CID 8683368
2-[[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62695230
3-amino-N-[(3-chlorophenyl)methyl]-N,3-dimethylbutanamide
CID 64685066
N-[(3-chlorophenyl)methyl]-N-ethyl-3-(ethylamino)propanamide
CID 55121332
2-[[[(3-chlorophenyl)methyl-methylamino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111305994

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-(ethylamino)-N-methylacetamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-(ethylamino)-N-methylacetamide (CID 60685725) is N-[(3-chlorophenyl)methyl]-2-(ethylamino)-N-methylacetamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-(ethylamino)-N-methylacetamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-(ethylamino)-N-methylacetamide is CCNCC(=O)N(C)Cc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-(ethylamino)-N-methylacetamide?
The InChIKey is CCLPZASYFUTGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-3-14-8-12(16)15(2)9-10-5-4-6-11(13)7-10/h4-7,14H,3,8-9H2,1-2H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-2-(ethylamino)-N-methylacetamide?
N-[(3-chlorophenyl)methyl]-2-(ethylamino)-N-methylacetamide has a molecular weight of 240.73 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-(ethylamino)-N-methylacetamide is sourced from PubChem (CID 60685725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).