2-(cyclopropylmethylamino)-N-[(3,5-dichlorophenyl)methyl]-N-methylacetamide

C14H18Cl2N2O — CID 54872632

IUPAC2-(cyclopropylmethylamino)-N-[(3,5-dichlorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1cc(Cl)cc(Cl)c1)C(=O)CNCC1CC1
InChIInChI=1S/C14H18Cl2N2O/c1-18(14(19)8-17-7-10-2-3-10)9-11-4-12(15)6-13(16)5-11/h4-6,10,17H,2-3,7-9H2,1H3
InChIKeyXWLACCDFBGVPQU-UHFFFAOYSA-N
MW301.22 g/mol
LogP2.95
Rot. Bonds6

About 2-(cyclopropylmethylamino)-N-[(3,5-dichlorophenyl)methyl]-N-methylacetamide

2-(cyclopropylmethylamino)-N-[(3,5-dichlorophenyl)methyl]-N-methylacetamide (PubChem CID 54872632) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[(3,5-dichlorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[(3,5-dichlorophenyl)methyl]-N-methylacetamide
PubChem CID54872632
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC Name2-(cyclopropylmethylamino)-N-[(3,5-dichlorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1cc(Cl)cc(Cl)c1)C(=O)CNCC1CC1
InChIInChI=1S/C14H18Cl2N2O/c1-18(14(19)8-17-7-10-2-3-10)9-11-4-12(15)6-13(16)5-11/h4-6,10,17H,2-3,7-9H2,1H3
InChIKeyXWLACCDFBGVPQU-UHFFFAOYSA-N
XLogP2.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[(3,5-dichlorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[(3,5-dichlorophenyl)methyl]-N-methylacetamide (CID 54872632) is 2-(cyclopropylmethylamino)-N-[(3,5-dichlorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[(3,5-dichlorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[(3,5-dichlorophenyl)methyl]-N-methylacetamide is CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CNCC1CC1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[(3,5-dichlorophenyl)methyl]-N-methylacetamide?
The InChIKey is XWLACCDFBGVPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c1-18(14(19)8-17-7-10-2-3-10)9-11-4-12(15)6-13(16)5-11/h4-6,10,17H,2-3,7-9H2,1H3.
What are the key properties of 2-(cyclopropylmethylamino)-N-[(3,5-dichlorophenyl)methyl]-N-methylacetamide?
2-(cyclopropylmethylamino)-N-[(3,5-dichlorophenyl)methyl]-N-methylacetamide has a molecular weight of 301.22 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[(3,5-dichlorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 54872632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).