4-(3-anilinophenyl)but-3-ynamide

C16H14N2O — CID 170474005

IUPAC4-(3-anilinophenyl)but-3-ynamide
SMILESNC(=O)CC#Cc1cccc(Nc2ccccc2)c1
InChIInChI=1S/C16H14N2O/c17-16(19)11-5-7-13-6-4-10-15(12-13)18-14-8-2-1-3-9-14/h1-4,6,8-10,12,18H,11H2,(H2,17,19)
InChIKeyYEORTQHSIPZKNX-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.66
Rot. Bonds3

About 4-(3-anilinophenyl)but-3-ynamide

4-(3-anilinophenyl)but-3-ynamide (PubChem CID 170474005) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-(3-anilinophenyl)but-3-ynamide.

Molecular Properties

Compound Name4-(3-anilinophenyl)but-3-ynamide
PubChem CID170474005
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name4-(3-anilinophenyl)but-3-ynamide
SMILESNC(=O)CC#Cc1cccc(Nc2ccccc2)c1
InChIInChI=1S/C16H14N2O/c17-16(19)11-5-7-13-6-4-10-15(12-13)18-14-8-2-1-3-9-14/h1-4,6,8-10,12,18H,11H2,(H2,17,19)
InChIKeyYEORTQHSIPZKNX-UHFFFAOYSA-N
XLogP2.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.66
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

methyl 3-(4-amino-4-oxobut-1-ynyl)benzoate
CID 170473312
4-(3-nitrophenyl)but-3-ynamide
CID 170473123
methyl 4-[3-(carbamothioylamino)phenyl]but-3-ynoate
CID 170469816
3-(3-hydroxyprop-1-ynyl)benzamide
CID 60816355
[3-(4-chlorobut-1-ynyl)phenyl]urea
CID 170468092
4-(9H-carbazol-3-yl)but-3-ynamide
CID 170474017
N-[3-(3-hydroxyprop-1-ynyl)phenyl]-2-phenylacetamide
CID 60803624
N-[3-(2-phenylethynyl)phenyl]acetamide
CID 90074626
4-(4-amino-3-bromophenyl)but-3-ynamide
CID 170474119
4-(4-chlorophenyl)but-3-ynamide
CID 170472446
2-[5-(4-amino-4-oxobut-1-ynyl)-2-methoxyphenyl]acetic acid
CID 170473910
4-(3-bromo-4-methylphenyl)but-3-ynamide
CID 170474096

Frequently Asked Questions

What is the IUPAC name of 4-(3-anilinophenyl)but-3-ynamide?
The IUPAC name of 4-(3-anilinophenyl)but-3-ynamide (CID 170474005) is 4-(3-anilinophenyl)but-3-ynamide.
What is the SMILES notation for 4-(3-anilinophenyl)but-3-ynamide?
The canonical SMILES for 4-(3-anilinophenyl)but-3-ynamide is NC(=O)CC#Cc1cccc(Nc2ccccc2)c1.
What is the InChIKey of 4-(3-anilinophenyl)but-3-ynamide?
The InChIKey is YEORTQHSIPZKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c17-16(19)11-5-7-13-6-4-10-15(12-13)18-14-8-2-1-3-9-14/h1-4,6,8-10,12,18H,11H2,(H2,17,19).
What are the key properties of 4-(3-anilinophenyl)but-3-ynamide?
4-(3-anilinophenyl)but-3-ynamide has a molecular weight of 250.30 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-anilinophenyl)but-3-ynamide is sourced from PubChem (CID 170474005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).