N-[(2-chlorophenyl)methyl]-N-methyl-2-(prop-2-ynylamino)acetamide

C13H15ClN2O — CID 78915074

IUPACN-[(2-chlorophenyl)methyl]-N-methyl-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)N(C)Cc1ccccc1Cl
InChIInChI=1S/C13H15ClN2O/c1-3-8-15-9-13(17)16(2)10-11-6-4-5-7-12(11)14/h1,4-7,15H,8-10H2,2H3
InChIKeyUIRDYXVEWPNXOU-UHFFFAOYSA-N
MW250.73 g/mol
LogP1.52
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-N-methyl-2-(prop-2-ynylamino)acetamide

N-[(2-chlorophenyl)methyl]-N-methyl-2-(prop-2-ynylamino)acetamide (PubChem CID 78915074) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-methyl-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-methyl-2-(prop-2-ynylamino)acetamide
PubChem CID78915074
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC NameN-[(2-chlorophenyl)methyl]-N-methyl-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)N(C)Cc1ccccc1Cl
InChIInChI=1S/C13H15ClN2O/c1-3-8-15-9-13(17)16(2)10-11-6-4-5-7-12(11)14/h1,4-7,15H,8-10H2,2H3
InChIKeyUIRDYXVEWPNXOU-UHFFFAOYSA-N
XLogP1.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 60685447
N-[(2-chlorophenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 60686804
2-anilino-N-[(2-chlorophenyl)methyl]-N-methylacetamide
CID 60683247
N-[(2-chlorophenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 60683172
N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-(prop-2-ynylamino)acetamide
CID 79287515
2-[(2-chlorophenyl)methylamino]-N-ethyl-N-methylacetamide
CID 43309591
N-methyl-N-(2-phenylethyl)-2-(prop-2-ynylamino)acetamide
CID 79287307
(2-chlorophenyl)methyl 2-(prop-2-ynylamino)acetate
CID 79274047
2-(2-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylacetamide
CID 61117245
1-[(2-chlorophenyl)methyl]-1-methylurea
CID 60703173
N-[(2-chlorophenyl)methyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605024
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(prop-2-ynylamino)acetamide
CID 78915164

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-methyl-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-methyl-2-(prop-2-ynylamino)acetamide (CID 78915074) is N-[(2-chlorophenyl)methyl]-N-methyl-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-methyl-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-methyl-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)N(C)Cc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-methyl-2-(prop-2-ynylamino)acetamide?
The InChIKey is UIRDYXVEWPNXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-3-8-15-9-13(17)16(2)10-11-6-4-5-7-12(11)14/h1,4-7,15H,8-10H2,2H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-N-methyl-2-(prop-2-ynylamino)acetamide?
N-[(2-chlorophenyl)methyl]-N-methyl-2-(prop-2-ynylamino)acetamide has a molecular weight of 250.73 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-methyl-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 78915074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).