N-(4-bromo-2-ethylphenyl)-3-phenylprop-2-ynamide

C17H14BrNO — CID 81003933

IUPACN-(4-bromo-2-ethylphenyl)-3-phenylprop-2-ynamide
SMILESCCc1cc(Br)ccc1NC(=O)C#Cc1ccccc1
InChIInChI=1S/C17H14BrNO/c1-2-14-12-15(18)9-10-16(14)19-17(20)11-8-13-6-4-3-5-7-13/h3-7,9-10,12H,2H2,1H3,(H,19,20)
InChIKeyVTZSSHDIZBMFQG-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.00
Rot. Bonds2

About N-(4-bromo-2-ethylphenyl)-3-phenylprop-2-ynamide

N-(4-bromo-2-ethylphenyl)-3-phenylprop-2-ynamide (PubChem CID 81003933) has the molecular formula C17H14BrNO and a molecular weight of 328.21 g/mol. Its IUPAC name is N-(4-bromo-2-ethylphenyl)-3-phenylprop-2-ynamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylphenyl)-3-phenylprop-2-ynamide
PubChem CID81003933
Molecular FormulaC17H14BrNO
Molecular Weight328.21 g/mol
Exact Mass327.03
IUPAC NameN-(4-bromo-2-ethylphenyl)-3-phenylprop-2-ynamide
SMILESCCc1cc(Br)ccc1NC(=O)C#Cc1ccccc1
InChIInChI=1S/C17H14BrNO/c1-2-14-12-15(18)9-10-16(14)19-17(20)11-8-13-6-4-3-5-7-13/h3-7,9-10,12H,2H2,1H3,(H,19,20)
InChIKeyVTZSSHDIZBMFQG-UHFFFAOYSA-N
XLogP4.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 54.00
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

N-(4-bromo-2-fluorophenyl)-3-phenylprop-2-ynamide
CID 43246939
2-[2-(3-phenylprop-2-ynoylamino)phenyl]acetic acid
CID 62534943
1-(4-bromo-2-ethylphenyl)-3-(2-bromophenyl)urea
CID 17217802
2-[2-(aminomethyl)phenyl]-N-(4-bromo-2-ethylphenyl)acetamide
CID 81313356
2-amino-N-(4-bromo-2-ethylphenyl)acetamide;hydrochloride
CID 119291314
N-[(5-bromo-2-fluorophenyl)methyl]-3-phenylprop-2-ynamide
CID 61299084
1-(4-bromo-2-ethylphenyl)-3-propylurea
CID 6467713
N-(4-bromo-2-ethylphenyl)-2-methylbenzamide
CID 81003246
2-[2-(4-bromo-2-ethylanilino)-2-oxoethyl]sulfanylacetic acid
CID 104570178
2-(4-bromo-2-ethylanilino)-N-phenylpropanamide
CID 81288532
1-(4-bromo-2-ethylphenyl)-3-(4-cyanophenyl)urea
CID 81288018
N-(4-bromo-2-ethylphenyl)-2-methylsulfanylbenzamide
CID 81035804

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylphenyl)-3-phenylprop-2-ynamide?
The IUPAC name of N-(4-bromo-2-ethylphenyl)-3-phenylprop-2-ynamide (CID 81003933) is N-(4-bromo-2-ethylphenyl)-3-phenylprop-2-ynamide.
What is the SMILES notation for N-(4-bromo-2-ethylphenyl)-3-phenylprop-2-ynamide?
The canonical SMILES for N-(4-bromo-2-ethylphenyl)-3-phenylprop-2-ynamide is CCc1cc(Br)ccc1NC(=O)C#Cc1ccccc1.
What is the InChIKey of N-(4-bromo-2-ethylphenyl)-3-phenylprop-2-ynamide?
The InChIKey is VTZSSHDIZBMFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO/c1-2-14-12-15(18)9-10-16(14)19-17(20)11-8-13-6-4-3-5-7-13/h3-7,9-10,12H,2H2,1H3,(H,19,20).
What are the key properties of N-(4-bromo-2-ethylphenyl)-3-phenylprop-2-ynamide?
N-(4-bromo-2-ethylphenyl)-3-phenylprop-2-ynamide has a molecular weight of 328.21 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylphenyl)-3-phenylprop-2-ynamide is sourced from PubChem (CID 81003933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).