4-(2,4-dichlorophenyl)but-3-ynamide

C10H7Cl2NO — CID 170472586

IUPAC4-(2,4-dichlorophenyl)but-3-ynamide
SMILESNC(=O)CC#Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H7Cl2NO/c11-8-5-4-7(9(12)6-8)2-1-3-10(13)14/h4-6H,3H2,(H2,13,14)
InChIKeyHLLHVLQNMFZXPL-UHFFFAOYSA-N
MW228.08 g/mol
LogP2.22
Rot. Bonds1

About 4-(2,4-dichlorophenyl)but-3-ynamide

4-(2,4-dichlorophenyl)but-3-ynamide (PubChem CID 170472586) has the molecular formula C10H7Cl2NO and a molecular weight of 228.08 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)but-3-ynamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)but-3-ynamide
PubChem CID170472586
Molecular FormulaC10H7Cl2NO
Molecular Weight228.08 g/mol
Exact Mass226.99
IUPAC Name4-(2,4-dichlorophenyl)but-3-ynamide
SMILESNC(=O)CC#Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H7Cl2NO/c11-8-5-4-7(9(12)6-8)2-1-3-10(13)14/h4-6H,3H2,(H2,13,14)
InChIKeyHLLHVLQNMFZXPL-UHFFFAOYSA-N
XLogP2.22
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(2,3,5-trichlorophenyl)but-3-ynamide
CID 170472839
4-(4-amino-2,5-dichlorophenyl)but-3-ynamide
CID 170473099
4-(4-chlorophenyl)but-3-ynamide
CID 170472446
1-(3-bromoprop-1-ynyl)-2,4-dichlorobenzene
CID 22927093
4-(2-fluoro-5-methoxyphenyl)but-3-ynamide
CID 170472901
4-(2-fluoro-5-nitrophenyl)but-3-ynamide
CID 170473463
4-(4-chloro-3,5-difluorophenyl)but-3-ynamide
CID 170472850
4-(2-chloro-3-pyridinyl)but-3-ynamide
CID 170472500
2,4-dichloro-1-(2-chloroethynyl)benzene
CID 57413219
ethyl 4-(2-chloro-4-methoxyphenyl)but-3-ynoate
CID 170471109
4-(4-fluoro-2-formylphenyl)but-3-ynamide
CID 170472912
4-(2,4-dimethoxyphenyl)but-3-ynamide
CID 170473317

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)but-3-ynamide?
The IUPAC name of 4-(2,4-dichlorophenyl)but-3-ynamide (CID 170472586) is 4-(2,4-dichlorophenyl)but-3-ynamide.
What is the SMILES notation for 4-(2,4-dichlorophenyl)but-3-ynamide?
The canonical SMILES for 4-(2,4-dichlorophenyl)but-3-ynamide is NC(=O)CC#Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 4-(2,4-dichlorophenyl)but-3-ynamide?
The InChIKey is HLLHVLQNMFZXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO/c11-8-5-4-7(9(12)6-8)2-1-3-10(13)14/h4-6H,3H2,(H2,13,14).
What are the key properties of 4-(2,4-dichlorophenyl)but-3-ynamide?
4-(2,4-dichlorophenyl)but-3-ynamide has a molecular weight of 228.08 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)but-3-ynamide is sourced from PubChem (CID 170472586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).