N-(2-bromo-5-chloro-4-methylphenyl)prop-2-ynamide

C10H7BrClNO — CID 104723899

IUPACN-(2-bromo-5-chloro-4-methylphenyl)prop-2-ynamide
SMILESC#CC(=O)Nc1cc(Cl)c(C)cc1Br
InChIInChI=1S/C10H7BrClNO/c1-3-10(14)13-9-5-8(12)6(2)4-7(9)11/h1,4-5H,2H3,(H,13,14)
InChIKeyJJETZTFBEAEMMC-UHFFFAOYSA-N
MW272.53 g/mol
LogP2.98
Rot. Bonds1

About N-(2-bromo-5-chloro-4-methylphenyl)prop-2-ynamide

N-(2-bromo-5-chloro-4-methylphenyl)prop-2-ynamide (PubChem CID 104723899) has the molecular formula C10H7BrClNO and a molecular weight of 272.53 g/mol. Its IUPAC name is N-(2-bromo-5-chloro-4-methylphenyl)prop-2-ynamide.

Molecular Properties

Compound NameN-(2-bromo-5-chloro-4-methylphenyl)prop-2-ynamide
PubChem CID104723899
Molecular FormulaC10H7BrClNO
Molecular Weight272.53 g/mol
Exact Mass270.94
IUPAC NameN-(2-bromo-5-chloro-4-methylphenyl)prop-2-ynamide
SMILESC#CC(=O)Nc1cc(Cl)c(C)cc1Br
InChIInChI=1S/C10H7BrClNO/c1-3-10(14)13-9-5-8(12)6(2)4-7(9)11/h1,4-5H,2H3,(H,13,14)
InChIKeyJJETZTFBEAEMMC-UHFFFAOYSA-N
XLogP2.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.53
LogP ≤ 52.98
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

3-(2-bromo-5-chloro-4-methylanilino)-3-oxopropanoic acid
CID 104725181
N-(2-bromo-5-chloro-4-methylphenyl)-4,4-difluorocyclohexane-1-carboxamide
CID 104723881
3-[(2-bromo-5-chloro-4-methylphenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 104722402
N-(2-bromo-5-chloro-4-methylphenyl)-3-chloro-2,2-dimethylpropanamide
CID 104723119
(E)-4-(2-bromo-5-chloro-4-methylanilino)-4-oxobut-2-enoic acid
CID 104722413
3-(2-bromo-5-chloro-4-methylphenyl)-1,1-diethylurea
CID 104724253
2-[(2-bromo-5-chloro-4-methylphenyl)carbamoylamino]acetic acid
CID 104724802
3-(2-bromo-5-chloro-4-methylphenyl)-1-ethyl-1-methylurea
CID 104724220
(3S)-N-(2-bromo-5-chloro-4-methylphenyl)piperidine-3-carboxamide
CID 104723644
N-(2-bromo-5-chloro-4-methylphenyl)-2-chloro-6-fluorobenzamide
CID 104724195
N-(2-bromo-5-chloro-4-methylphenyl)hexanamide
CID 104724053
(2S)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)-3,3-dimethylbutanamide
CID 113445501

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)prop-2-ynamide?
The IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)prop-2-ynamide (CID 104723899) is N-(2-bromo-5-chloro-4-methylphenyl)prop-2-ynamide.
What is the SMILES notation for N-(2-bromo-5-chloro-4-methylphenyl)prop-2-ynamide?
The canonical SMILES for N-(2-bromo-5-chloro-4-methylphenyl)prop-2-ynamide is C#CC(=O)Nc1cc(Cl)c(C)cc1Br.
What is the InChIKey of N-(2-bromo-5-chloro-4-methylphenyl)prop-2-ynamide?
The InChIKey is JJETZTFBEAEMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClNO/c1-3-10(14)13-9-5-8(12)6(2)4-7(9)11/h1,4-5H,2H3,(H,13,14).
What are the key properties of N-(2-bromo-5-chloro-4-methylphenyl)prop-2-ynamide?
N-(2-bromo-5-chloro-4-methylphenyl)prop-2-ynamide has a molecular weight of 272.53 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chloro-4-methylphenyl)prop-2-ynamide is sourced from PubChem (CID 104723899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).