2-[1-(2-chlorophenyl)ethylamino]-N-prop-2-ynylacetamide

C13H15ClN2O — CID 47118036

IUPAC2-[1-(2-chlorophenyl)ethylamino]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CNC(C)c1ccccc1Cl
InChIInChI=1S/C13H15ClN2O/c1-3-8-15-13(17)9-16-10(2)11-6-4-5-7-12(11)14/h1,4-7,10,16H,8-9H2,2H3,(H,15,17)
InChIKeyCMPNTWXXRFLINK-UHFFFAOYSA-N
MW250.73 g/mol
LogP1.74
Rot. Bonds5

About 2-[1-(2-chlorophenyl)ethylamino]-N-prop-2-ynylacetamide

2-[1-(2-chlorophenyl)ethylamino]-N-prop-2-ynylacetamide (PubChem CID 47118036) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)ethylamino]-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)ethylamino]-N-prop-2-ynylacetamide
PubChem CID47118036
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name2-[1-(2-chlorophenyl)ethylamino]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CNC(C)c1ccccc1Cl
InChIInChI=1S/C13H15ClN2O/c1-3-8-15-13(17)9-16-10(2)11-6-4-5-7-12(11)14/h1,4-7,10,16H,8-9H2,2H3,(H,15,17)
InChIKeyCMPNTWXXRFLINK-UHFFFAOYSA-N
XLogP1.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 9306793
2-[1-(2-chlorophenyl)ethylamino]-N-(1-phenylethyl)acetamide
CID 18085942
N-carbamoyl-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 81377573
2-[1-(2-chlorophenyl)ethylamino]-N-(2,6-dichlorophenyl)acetamide
CID 18085946
N-benzhydryl-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 9306893
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-pentan-3-ylacetamide
CID 81377630
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-phenylacetamide
CID 32704244
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(propylcarbamoyl)acetamide
CID 9306320
2-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]prop-2-enoic acid
CID 103260158
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(2-methylphenyl)acetamide
CID 9306757
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 9307339
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-cyclopropylacetamide
CID 81378498

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)ethylamino]-N-prop-2-ynylacetamide?
The IUPAC name of 2-[1-(2-chlorophenyl)ethylamino]-N-prop-2-ynylacetamide (CID 47118036) is 2-[1-(2-chlorophenyl)ethylamino]-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-[1-(2-chlorophenyl)ethylamino]-N-prop-2-ynylacetamide?
The canonical SMILES for 2-[1-(2-chlorophenyl)ethylamino]-N-prop-2-ynylacetamide is C#CCNC(=O)CNC(C)c1ccccc1Cl.
What is the InChIKey of 2-[1-(2-chlorophenyl)ethylamino]-N-prop-2-ynylacetamide?
The InChIKey is CMPNTWXXRFLINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-3-8-15-13(17)9-16-10(2)11-6-4-5-7-12(11)14/h1,4-7,10,16H,8-9H2,2H3,(H,15,17).
What are the key properties of 2-[1-(2-chlorophenyl)ethylamino]-N-prop-2-ynylacetamide?
2-[1-(2-chlorophenyl)ethylamino]-N-prop-2-ynylacetamide has a molecular weight of 250.73 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)ethylamino]-N-prop-2-ynylacetamide is sourced from PubChem (CID 47118036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).