N-but-3-yn-2-yl-2-chloro-2-phenylacetamide;2-chloro-N-phenyl-N-propan-2-ylacetamide

C23H26Cl2N2O2 — CID 174298754

IUPACN-but-3-yn-2-yl-2-chloro-2-phenylacetamide;2-chloro-N-phenyl-N-propan-2-ylacetamide
SMILESC#CC(C)NC(=O)C(Cl)c1ccccc1.CC(C)N(C(=O)CCl)c1ccccc1
InChIInChI=1S/C12H12ClNO.C11H14ClNO/c1-3-9(2)14-12(15)11(13)10-7-5-4-6-8-10;1-9(2)13(11(14)8-12)10-6-4-3-5-7-10/h1,4-9,11H,2H3,(H,14,15);3-7,9H,8H2,1-2H3
InChIKeyNQNZEMLMXLSPRI-UHFFFAOYSA-N
MW433.38 g/mol
LogP4.77
Rot. Bonds6

About N-but-3-yn-2-yl-2-chloro-2-phenylacetamide;2-chloro-N-phenyl-N-propan-2-ylacetamide

N-but-3-yn-2-yl-2-chloro-2-phenylacetamide;2-chloro-N-phenyl-N-propan-2-ylacetamide (PubChem CID 174298754) has the molecular formula C23H26Cl2N2O2 and a molecular weight of 433.38 g/mol. Its IUPAC name is N-but-3-yn-2-yl-2-chloro-2-phenylacetamide;2-chloro-N-phenyl-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-but-3-yn-2-yl-2-chloro-2-phenylacetamide;2-chloro-N-phenyl-N-propan-2-ylacetamide
PubChem CID174298754
Molecular FormulaC23H26Cl2N2O2
Molecular Weight433.38 g/mol
Exact Mass432.14
IUPAC NameN-but-3-yn-2-yl-2-chloro-2-phenylacetamide;2-chloro-N-phenyl-N-propan-2-ylacetamide
SMILESC#CC(C)NC(=O)C(Cl)c1ccccc1.CC(C)N(C(=O)CCl)c1ccccc1
InChIInChI=1S/C12H12ClNO.C11H14ClNO/c1-3-9(2)14-12(15)11(13)10-7-5-4-6-8-10;1-9(2)13(11(14)8-12)10-6-4-3-5-7-10/h1,4-9,11H,2H3,(H,14,15);3-7,9H,8H2,1-2H3
InChIKeyNQNZEMLMXLSPRI-UHFFFAOYSA-N
XLogP4.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.38
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(2-chloro-N-phenyl-N-propan-2-ylacetamide);bis(N-(3,4-dichlorophenyl)propanamide)
CID 173369864
(2R)-2-amino-N-but-3-yn-2-yl-2-phenylacetamide
CID 104921668
2-chloro-N-(4-chlorophenyl)-N-propan-2-ylacetamide;toluene
CID 175422167
2-[(2-chloro-2-phenylacetyl)amino]-N-propylpropanamide
CID 43697641
N'-phenyl-N,N'-di(propan-2-yl)propanediamide
CID 71028151
2-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-phenylacetamide
CID 62640904
2-chloro-N-[2-(N-methylanilino)ethyl]-2-phenylacetamide
CID 43168069
2-(benzhydrylamino)-N-phenyl-N-propan-2-ylacetamide;hydrochloride
CID 68964750
2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-2-phenylacetamide
CID 107862713
2-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-2-phenylacetamide
CID 81352338
2-chloro-N-heptan-2-yl-2-phenylacetamide
CID 43578893
2-[(2-chloro-2-phenylacetyl)amino]-N-(3,3-diphenylpropyl)-3-methylbutanamide
CID 42657080

Frequently Asked Questions

What is the IUPAC name of N-but-3-yn-2-yl-2-chloro-2-phenylacetamide;2-chloro-N-phenyl-N-propan-2-ylacetamide?
The IUPAC name of N-but-3-yn-2-yl-2-chloro-2-phenylacetamide;2-chloro-N-phenyl-N-propan-2-ylacetamide (CID 174298754) is N-but-3-yn-2-yl-2-chloro-2-phenylacetamide;2-chloro-N-phenyl-N-propan-2-ylacetamide.
What is the SMILES notation for N-but-3-yn-2-yl-2-chloro-2-phenylacetamide;2-chloro-N-phenyl-N-propan-2-ylacetamide?
The canonical SMILES for N-but-3-yn-2-yl-2-chloro-2-phenylacetamide;2-chloro-N-phenyl-N-propan-2-ylacetamide is C#CC(C)NC(=O)C(Cl)c1ccccc1.CC(C)N(C(=O)CCl)c1ccccc1.
What is the InChIKey of N-but-3-yn-2-yl-2-chloro-2-phenylacetamide;2-chloro-N-phenyl-N-propan-2-ylacetamide?
The InChIKey is NQNZEMLMXLSPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO.C11H14ClNO/c1-3-9(2)14-12(15)11(13)10-7-5-4-6-8-10;1-9(2)13(11(14)8-12)10-6-4-3-5-7-10/h1,4-9,11H,2H3,(H,14,15);3-7,9H,8H2,1-2H3.
What are the key properties of N-but-3-yn-2-yl-2-chloro-2-phenylacetamide;2-chloro-N-phenyl-N-propan-2-ylacetamide?
N-but-3-yn-2-yl-2-chloro-2-phenylacetamide;2-chloro-N-phenyl-N-propan-2-ylacetamide has a molecular weight of 433.38 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-yn-2-yl-2-chloro-2-phenylacetamide;2-chloro-N-phenyl-N-propan-2-ylacetamide is sourced from PubChem (CID 174298754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).