2-chloro-N-phenylpent-4-ynamide

C11H10ClNO — CID 154290930

IUPAC2-chloro-N-phenylpent-4-ynamide
SMILESC#CCC(Cl)C(=O)Nc1ccccc1
InChIInChI=1S/C11H10ClNO/c1-2-6-10(12)11(14)13-9-7-4-3-5-8-9/h1,3-5,7-8,10H,6H2,(H,13,14)
InChIKeyYNYPQLPEABNHTC-UHFFFAOYSA-N
MW207.66 g/mol
LogP2.26
Rot. Bonds3

About 2-chloro-N-phenylpent-4-ynamide

2-chloro-N-phenylpent-4-ynamide (PubChem CID 154290930) has the molecular formula C11H10ClNO and a molecular weight of 207.66 g/mol. Its IUPAC name is 2-chloro-N-phenylpent-4-ynamide.

Molecular Properties

Compound Name2-chloro-N-phenylpent-4-ynamide
PubChem CID154290930
Molecular FormulaC11H10ClNO
Molecular Weight207.66 g/mol
Exact Mass207.05
IUPAC Name2-chloro-N-phenylpent-4-ynamide
SMILESC#CCC(Cl)C(=O)Nc1ccccc1
InChIInChI=1S/C11H10ClNO/c1-2-6-10(12)11(14)13-9-7-4-3-5-8-9/h1,3-5,7-8,10H,6H2,(H,13,14)
InChIKeyYNYPQLPEABNHTC-UHFFFAOYSA-N
XLogP2.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

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N-(4-benzoylphenyl)-2,3-dichloropropanamide
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2-(pent-4-ynylamino)-N-phenylpropanamide
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bicyclo[3.1.0]hexa-1(6),2,4-triene;N-phenylbut-3-ynamide
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2,2-dichloro-N-[3-[(2,2-dichloroacetyl)amino]phenyl]acetamide
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2,3-dihydroxy-N-phenylpropanamide;hydrate
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(2R)-3-amino-2-hydroxy-N-phenylpropanamide
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4-chloro-2-methyl-3-oxo-N-phenylbutanamide
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2-chloro-N-(3-ethylphenyl)butanamide
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(2R)-2-amino-N-phenylpropanamide
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-phenylpent-4-ynamide?
The IUPAC name of 2-chloro-N-phenylpent-4-ynamide (CID 154290930) is 2-chloro-N-phenylpent-4-ynamide.
What is the SMILES notation for 2-chloro-N-phenylpent-4-ynamide?
The canonical SMILES for 2-chloro-N-phenylpent-4-ynamide is C#CCC(Cl)C(=O)Nc1ccccc1.
What is the InChIKey of 2-chloro-N-phenylpent-4-ynamide?
The InChIKey is YNYPQLPEABNHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO/c1-2-6-10(12)11(14)13-9-7-4-3-5-8-9/h1,3-5,7-8,10H,6H2,(H,13,14).
What are the key properties of 2-chloro-N-phenylpent-4-ynamide?
2-chloro-N-phenylpent-4-ynamide has a molecular weight of 207.66 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-phenylpent-4-ynamide is sourced from PubChem (CID 154290930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).